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DAMASK_EICMD
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Merge branch 'development' into python-module

This commit is contained in:
Martin Diehl 2020-01-14 08:58:19 +01:00
parent a6fa9eccb7 31788301e9
commit af42eae9c1
76 changed files with 858 additions and 2278 deletions
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13
CMakeLists.txt
View File

@ -113,13 +113,11 @@ if (DAMASK_SOLVER STREQUAL "grid")
elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh") elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh")
project (damask-mesh Fortran C) project (damask-mesh Fortran C)
add_definitions (-DFEM) add_definitions (-DFEM)
message ("Building FEM Solver\n") message ("Building Mesh Solver\n")
else () else ()
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined") message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")
endif () endif ()
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
# set linker commands (needs to be done after defining the project)
set (CMAKE_LINKER "${PETSC_LINKER}")
if (CMAKE_BUILD_TYPE STREQUAL "") if (CMAKE_BUILD_TYPE STREQUAL "")
set (CMAKE_BUILD_TYPE "RELEASE") set (CMAKE_BUILD_TYPE "RELEASE")
@ -168,9 +166,6 @@ add_definitions (-DDAMASKVERSION="${DAMASK_V}")
# definition of other macros # definition of other macros
add_definitions (-DPETSc) add_definitions (-DPETSc)
set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
include(Compiler-Intel) include(Compiler-Intel)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
@ -183,14 +178,14 @@ endif ()
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}") set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}") set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${PETSC_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
if (CMAKE_BUILD_TYPE STREQUAL "DEBUG") if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}") set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}") set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
endif () endif ()
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DAMASK_INCLUDE_FLAGS} ${BUILDCMD_POST}") set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${PETSC_INCLUDES} ${BUILDCMD_POST}")
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} <OBJECTS> -o <TARGET> <LINK_LIBRARIES> ${PETSC_EXTERNAL_LIB} ${BUILDCMD_POST}") set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} <OBJECTS> -o <TARGET> <LINK_LIBRARIES> ${PETSC_EXTERNAL_LIB} ${BUILDCMD_POST}")
message ("Fortran Compiler Flags:\n${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}}\n") message ("Fortran Compiler Flags:\n${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}}\n")

2
LICENSE
View File

@ -1,4 +1,4 @@
Copyright 2011-19 Max-Planck-Institut für Eisenforschung GmbH Copyright 2011-20 Max-Planck-Institut für Eisenforschung GmbH
DAMASK is free software: you can redistribute it and/or modify DAMASK is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by it under the terms of the GNU General Public License as published by

2
Makefile
View File

@ -26,7 +26,7 @@ build/grid:
.PHONY: build/mesh .PHONY: build/mesh
build/mesh: build/mesh:
@mkdir -p build/mesh @mkdir -p build/mesh
@(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=FEM -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;) @(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=MESH -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
.PHONY: clean .PHONY: clean
clean: clean:

2
VERSION
View File

@ -1 +1 @@
v2.0.3-1406-g5fc1abae v2.0.3-1484-g93fca511

2
examples/ConfigFiles/Texture_Gauss_001.config
View File

@ -1,2 +1,2 @@
[001] [001]
(gauss) phi1 0.000 Phi 0.000 phi2 0.000 scatter 0.000 fraction 1.000 (gauss) phi1 0.000 Phi 0.000 phi2 0.000

2
examples/ConfigFiles/Texture_Gauss_101.config
View File

@ -1,2 +1,2 @@
[101] [101]
(gauss) phi1 0.000 Phi 45.000 phi2 90.000 scatter 0.000 fraction 1.000 (gauss) phi1 0.000 Phi 45.000 phi2 90.000

2
examples/ConfigFiles/Texture_Gauss_111.config
View File

@ -1,2 +1,2 @@
[111] [111]
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000 scatter 0.000 fraction 1.000 (gauss) phi1 0.000 Phi 54.7356 phi2 45.000

2
examples/ConfigFiles/Texture_Gauss_123.config
View File

@ -1,2 +1,2 @@
[123] [123]
(gauss) phi1 209.805 Phi 29.206 phi2 63.435 scatter 0.000 fraction 1.000 (gauss) phi1 209.805 Phi 29.206 phi2 63.435

509
examples/FEM/polyXtal/material.config
View File

@ -4,14 +4,6 @@
[SX] [SX]
mech none mech none
#-------------------#
<crystallite>
#-------------------#
[aLittleSomething]
(output) f
(output) p
#-------------------# #-------------------#
<phase> <phase>
#-------------------# #-------------------#
@ -50,408 +42,212 @@ interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
atol_resistance 1 atol_resistance 1
(output) f
(output) p
#-------------------# #-------------------#
<microstructure> <microstructure>
#-------------------# #-------------------#
[Grain001] [Grain001]
crystallite 1
(constituent) phase 1 texture 1 fraction 1.0 (constituent) phase 1 texture 1 fraction 1.0
[Grain002] [Grain002]
crystallite 1
(constituent) phase 1 texture 2 fraction 1.0 (constituent) phase 1 texture 2 fraction 1.0
[Grain003] [Grain003]
crystallite 1
(constituent) phase 1 texture 3 fraction 1.0 (constituent) phase 1 texture 3 fraction 1.0
[Grain004] [Grain004]
crystallite 1
(constituent) phase 1 texture 4 fraction 1.0 (constituent) phase 1 texture 4 fraction 1.0
[Grain005] [Grain005]
crystallite 1
(constituent) phase 1 texture 5 fraction 1.0 (constituent) phase 1 texture 5 fraction 1.0
[Grain006] [Grain006]
crystallite 1
(constituent) phase 1 texture 6 fraction 1.0 (constituent) phase 1 texture 6 fraction 1.0
[Grain007] [Grain007]
crystallite 1
(constituent) phase 1 texture 7 fraction 1.0 (constituent) phase 1 texture 7 fraction 1.0
[Grain008] [Grain008]
crystallite 1
(constituent) phase 1 texture 8 fraction 1.0 (constituent) phase 1 texture 8 fraction 1.0
[Grain009] [Grain009]
crystallite 1
(constituent) phase 1 texture 9 fraction 1.0 (constituent) phase 1 texture 9 fraction 1.0
[Grain010] [Grain010]
crystallite 1
(constituent) phase 1 texture 10 fraction 1.0 (constituent) phase 1 texture 10 fraction 1.0
[Grain011] [Grain011]
crystallite 1
(constituent) phase 1 texture 11 fraction 1.0 (constituent) phase 1 texture 11 fraction 1.0
[Grain012] [Grain012]
crystallite 1
(constituent) phase 1 texture 12 fraction 1.0 (constituent) phase 1 texture 12 fraction 1.0
[Grain013] [Grain013]
crystallite 1
(constituent) phase 1 texture 13 fraction 1.0 (constituent) phase 1 texture 13 fraction 1.0
[Grain014] [Grain014]
crystallite 1
(constituent) phase 1 texture 14 fraction 1.0 (constituent) phase 1 texture 14 fraction 1.0
[Grain015] [Grain015]
crystallite 1
(constituent) phase 1 texture 15 fraction 1.0 (constituent) phase 1 texture 15 fraction 1.0
[Grain016] [Grain016]
crystallite 1
(constituent) phase 1 texture 16 fraction 1.0 (constituent) phase 1 texture 16 fraction 1.0
[Grain017] [Grain017]
crystallite 1
(constituent) phase 1 texture 17 fraction 1.0 (constituent) phase 1 texture 17 fraction 1.0
[Grain018] [Grain018]
crystallite 1
(constituent) phase 1 texture 18 fraction 1.0 (constituent) phase 1 texture 18 fraction 1.0
[Grain019] [Grain019]
crystallite 1
(constituent) phase 1 texture 19 fraction 1.0 (constituent) phase 1 texture 19 fraction 1.0
[Grain020] [Grain020]
crystallite 1
(constituent) phase 1 texture 20 fraction 1.0 (constituent) phase 1 texture 20 fraction 1.0
[Grain021] [Grain021]
crystallite 1
(constituent) phase 1 texture 21 fraction 1.0 (constituent) phase 1 texture 21 fraction 1.0
[Grain022] [Grain022]
crystallite 1
(constituent) phase 1 texture 22 fraction 1.0 (constituent) phase 1 texture 22 fraction 1.0
[Grain023] [Grain023]
crystallite 1
(constituent) phase 1 texture 23 fraction 1.0 (constituent) phase 1 texture 23 fraction 1.0
[Grain024] [Grain024]
crystallite 1
(constituent) phase 1 texture 24 fraction 1.0 (constituent) phase 1 texture 24 fraction 1.0
[Grain025] [Grain025]
crystallite 1
(constituent) phase 1 texture 25 fraction 1.0 (constituent) phase 1 texture 25 fraction 1.0
[Grain026] [Grain026]
crystallite 1
(constituent) phase 1 texture 26 fraction 1.0 (constituent) phase 1 texture 26 fraction 1.0
[Grain027] [Grain027]
crystallite 1
(constituent) phase 1 texture 27 fraction 1.0 (constituent) phase 1 texture 27 fraction 1.0
[Grain028] [Grain028]
crystallite 1
(constituent) phase 1 texture 28 fraction 1.0 (constituent) phase 1 texture 28 fraction 1.0
[Grain029] [Grain029]
crystallite 1
(constituent) phase 1 texture 29 fraction 1.0 (constituent) phase 1 texture 29 fraction 1.0
[Grain030] [Grain030]
crystallite 1
(constituent) phase 1 texture 30 fraction 1.0 (constituent) phase 1 texture 30 fraction 1.0
[Grain031] [Grain031]
crystallite 1
(constituent) phase 1 texture 31 fraction 1.0 (constituent) phase 1 texture 31 fraction 1.0
[Grain032] [Grain032]
crystallite 1
(constituent) phase 1 texture 32 fraction 1.0 (constituent) phase 1 texture 32 fraction 1.0
[Grain033] [Grain033]
crystallite 1
(constituent) phase 1 texture 33 fraction 1.0 (constituent) phase 1 texture 33 fraction 1.0
[Grain034] [Grain034]
crystallite 1
(constituent) phase 1 texture 34 fraction 1.0 (constituent) phase 1 texture 34 fraction 1.0
[Grain035] [Grain035]
crystallite 1
(constituent) phase 1 texture 35 fraction 1.0 (constituent) phase 1 texture 35 fraction 1.0
[Grain036] [Grain036]
crystallite 1
(constituent) phase 1 texture 36 fraction 1.0 (constituent) phase 1 texture 36 fraction 1.0
[Grain037] [Grain037]
crystallite 1
(constituent) phase 1 texture 37 fraction 1.0 (constituent) phase 1 texture 37 fraction 1.0
[Grain038] [Grain038]
crystallite 1
(constituent) phase 1 texture 38 fraction 1.0 (constituent) phase 1 texture 38 fraction 1.0
[Grain039] [Grain039]
crystallite 1
(constituent) phase 1 texture 39 fraction 1.0 (constituent) phase 1 texture 39 fraction 1.0
[Grain040] [Grain040]
crystallite 1
(constituent) phase 1 texture 40 fraction 1.0 (constituent) phase 1 texture 40 fraction 1.0
[Grain041] [Grain041]
crystallite 1
(constituent) phase 1 texture 41 fraction 1.0 (constituent) phase 1 texture 41 fraction 1.0
[Grain042] [Grain042]
crystallite 1
(constituent) phase 1 texture 42 fraction 1.0 (constituent) phase 1 texture 42 fraction 1.0
[Grain043] [Grain043]
crystallite 1
(constituent) phase 1 texture 43 fraction 1.0 (constituent) phase 1 texture 43 fraction 1.0
[Grain044] [Grain044]
crystallite 1
(constituent) phase 1 texture 44 fraction 1.0 (constituent) phase 1 texture 44 fraction 1.0
[Grain045] [Grain045]
crystallite 1
(constituent) phase 1 texture 45 fraction 1.0 (constituent) phase 1 texture 45 fraction 1.0
[Grain046] [Grain046]
crystallite 1
(constituent) phase 1 texture 46 fraction 1.0 (constituent) phase 1 texture 46 fraction 1.0
[Grain047] [Grain047]
crystallite 1
(constituent) phase 1 texture 47 fraction 1.0 (constituent) phase 1 texture 47 fraction 1.0
[Grain048] [Grain048]
crystallite 1
(constituent) phase 1 texture 48 fraction 1.0 (constituent) phase 1 texture 48 fraction 1.0
[Grain049] [Grain049]
crystallite 1
(constituent) phase 1 texture 49 fraction 1.0 (constituent) phase 1 texture 49 fraction 1.0
[Grain050] [Grain050]
crystallite 1
(constituent) phase 1 texture 50 fraction 1.0 (constituent) phase 1 texture 50 fraction 1.0
[Grain051] [Grain051]
crystallite 1
(constituent) phase 1 texture 51 fraction 1.0 (constituent) phase 1 texture 51 fraction 1.0
[Grain052] [Grain052]
crystallite 1
(constituent) phase 1 texture 52 fraction 1.0 (constituent) phase 1 texture 52 fraction 1.0
[Grain053] [Grain053]
crystallite 1
(constituent) phase 1 texture 53 fraction 1.0 (constituent) phase 1 texture 53 fraction 1.0
[Grain054] [Grain054]
crystallite 1
(constituent) phase 1 texture 54 fraction 1.0 (constituent) phase 1 texture 54 fraction 1.0
[Grain055] [Grain055]
crystallite 1
(constituent) phase 1 texture 55 fraction 1.0 (constituent) phase 1 texture 55 fraction 1.0
[Grain056] [Grain056]
crystallite 1
(constituent) phase 1 texture 56 fraction 1.0 (constituent) phase 1 texture 56 fraction 1.0
[Grain057] [Grain057]
crystallite 1
(constituent) phase 1 texture 57 fraction 1.0 (constituent) phase 1 texture 57 fraction 1.0
[Grain058] [Grain058]
crystallite 1
(constituent) phase 1 texture 58 fraction 1.0 (constituent) phase 1 texture 58 fraction 1.0
[Grain059] [Grain059]
crystallite 1
(constituent) phase 1 texture 59 fraction 1.0 (constituent) phase 1 texture 59 fraction 1.0
[Grain060] [Grain060]
crystallite 1
(constituent) phase 1 texture 60 fraction 1.0 (constituent) phase 1 texture 60 fraction 1.0
[Grain061] [Grain061]
crystallite 1
(constituent) phase 1 texture 61 fraction 1.0 (constituent) phase 1 texture 61 fraction 1.0
[Grain062] [Grain062]
crystallite 1
(constituent) phase 1 texture 62 fraction 1.0 (constituent) phase 1 texture 62 fraction 1.0
[Grain063] [Grain063]
crystallite 1
(constituent) phase 1 texture 63 fraction 1.0 (constituent) phase 1 texture 63 fraction 1.0
[Grain064] [Grain064]
crystallite 1
(constituent) phase 1 texture 64 fraction 1.0 (constituent) phase 1 texture 64 fraction 1.0
[Grain065] [Grain065]
crystallite 1
(constituent) phase 1 texture 65 fraction 1.0 (constituent) phase 1 texture 65 fraction 1.0
[Grain066] [Grain066]
crystallite 1
(constituent) phase 1 texture 66 fraction 1.0 (constituent) phase 1 texture 66 fraction 1.0
[Grain067] [Grain067]
crystallite 1
(constituent) phase 1 texture 67 fraction 1.0 (constituent) phase 1 texture 67 fraction 1.0
[Grain068] [Grain068]
crystallite 1
(constituent) phase 1 texture 68 fraction 1.0 (constituent) phase 1 texture 68 fraction 1.0
[Grain069] [Grain069]
crystallite 1
(constituent) phase 1 texture 69 fraction 1.0 (constituent) phase 1 texture 69 fraction 1.0
[Grain070] [Grain070]
crystallite 1
(constituent) phase 1 texture 70 fraction 1.0 (constituent) phase 1 texture 70 fraction 1.0
[Grain071] [Grain071]
crystallite 1
(constituent) phase 1 texture 71 fraction 1.0 (constituent) phase 1 texture 71 fraction 1.0
[Grain072] [Grain072]
crystallite 1
(constituent) phase 1 texture 72 fraction 1.0 (constituent) phase 1 texture 72 fraction 1.0
[Grain073] [Grain073]
crystallite 1
(constituent) phase 1 texture 73 fraction 1.0 (constituent) phase 1 texture 73 fraction 1.0
[Grain074] [Grain074]
crystallite 1
(constituent) phase 1 texture 74 fraction 1.0 (constituent) phase 1 texture 74 fraction 1.0
[Grain075] [Grain075]
crystallite 1
(constituent) phase 1 texture 75 fraction 1.0 (constituent) phase 1 texture 75 fraction 1.0
[Grain076] [Grain076]
crystallite 1
(constituent) phase 1 texture 76 fraction 1.0 (constituent) phase 1 texture 76 fraction 1.0
[Grain077] [Grain077]
crystallite 1
(constituent) phase 1 texture 77 fraction 1.0 (constituent) phase 1 texture 77 fraction 1.0
[Grain078] [Grain078]
crystallite 1
(constituent) phase 1 texture 78 fraction 1.0 (constituent) phase 1 texture 78 fraction 1.0
[Grain079] [Grain079]
crystallite 1
(constituent) phase 1 texture 79 fraction 1.0 (constituent) phase 1 texture 79 fraction 1.0
[Grain080] [Grain080]
crystallite 1
(constituent) phase 1 texture 80 fraction 1.0 (constituent) phase 1 texture 80 fraction 1.0
[Grain081] [Grain081]
crystallite 1
(constituent) phase 1 texture 81 fraction 1.0 (constituent) phase 1 texture 81 fraction 1.0
[Grain082] [Grain082]
crystallite 1
(constituent) phase 1 texture 82 fraction 1.0 (constituent) phase 1 texture 82 fraction 1.0
[Grain083] [Grain083]
crystallite 1
(constituent) phase 1 texture 83 fraction 1.0 (constituent) phase 1 texture 83 fraction 1.0
[Grain084] [Grain084]
crystallite 1
(constituent) phase 1 texture 84 fraction 1.0 (constituent) phase 1 texture 84 fraction 1.0
[Grain085] [Grain085]
crystallite 1
(constituent) phase 1 texture 85 fraction 1.0 (constituent) phase 1 texture 85 fraction 1.0
[Grain086] [Grain086]
crystallite 1
(constituent) phase 1 texture 86 fraction 1.0 (constituent) phase 1 texture 86 fraction 1.0
[Grain087] [Grain087]
crystallite 1
(constituent) phase 1 texture 87 fraction 1.0 (constituent) phase 1 texture 87 fraction 1.0
[Grain088] [Grain088]
crystallite 1
(constituent) phase 1 texture 88 fraction 1.0 (constituent) phase 1 texture 88 fraction 1.0
[Grain089] [Grain089]
crystallite 1
(constituent) phase 1 texture 89 fraction 1.0 (constituent) phase 1 texture 89 fraction 1.0
[Grain090] [Grain090]
crystallite 1
(constituent) phase 1 texture 90 fraction 1.0 (constituent) phase 1 texture 90 fraction 1.0
[Grain091] [Grain091]
crystallite 1
(constituent) phase 1 texture 91 fraction 1.0 (constituent) phase 1 texture 91 fraction 1.0
[Grain092] [Grain092]
crystallite 1
(constituent) phase 1 texture 92 fraction 1.0 (constituent) phase 1 texture 92 fraction 1.0
[Grain093] [Grain093]
crystallite 1
(constituent) phase 1 texture 93 fraction 1.0 (constituent) phase 1 texture 93 fraction 1.0
[Grain094] [Grain094]
crystallite 1
(constituent) phase 1 texture 94 fraction 1.0 (constituent) phase 1 texture 94 fraction 1.0
[Grain095] [Grain095]
crystallite 1
(constituent) phase 1 texture 95 fraction 1.0 (constituent) phase 1 texture 95 fraction 1.0
[Grain096] [Grain096]
crystallite 1
(constituent) phase 1 texture 96 fraction 1.0 (constituent) phase 1 texture 96 fraction 1.0
[Grain097] [Grain097]
crystallite 1
(constituent) phase 1 texture 97 fraction 1.0 (constituent) phase 1 texture 97 fraction 1.0
[Grain098] [Grain098]
crystallite 1
(constituent) phase 1 texture 98 fraction 1.0 (constituent) phase 1 texture 98 fraction 1.0
[Grain099] [Grain099]
crystallite 1
(constituent) phase 1 texture 99 fraction 1.0 (constituent) phase 1 texture 99 fraction 1.0
[Grain100] [Grain100]
crystallite 1
(constituent) phase 1 texture 100 fraction 1.0 (constituent) phase 1 texture 100 fraction 1.0
#-------------------# #-------------------#
@ -459,301 +255,202 @@ crystallite 1
#-------------------# #-------------------#
[Grain001] [Grain001]
(gauss) phi1 172.344 Phi 114.046 phi2 294.669 scatter 0.0 fraction 1.0 (gauss) phi1 172.344 Phi 114.046 phi2 294.669
[Grain002] [Grain002]
(gauss) phi1 186.013 Phi 94.7338 phi2 329.683 scatter 0.0 fraction 1.0 (gauss) phi1 186.013 Phi 94.7338 phi2 329.683
[Grain003] [Grain003]
(gauss) phi1 162.41 Phi 98.9455 phi2 130.322 scatter 0.0 fraction 1.0 (gauss) phi1 162.41 Phi 98.9455 phi2 130.322
[Grain004] [Grain004]
(gauss) phi1 355.272 Phi 140.621 phi2 125.567 scatter 0.0 fraction 1.0 (gauss) phi1 355.272 Phi 140.621 phi2 125.567
[Grain005] [Grain005]
(gauss) phi1 21.7641 Phi 143.388 phi2 240.373 scatter 0.0 fraction 1.0 (gauss) phi1 21.7641 Phi 143.388 phi2 240.373
[Grain006] [Grain006]
(gauss) phi1 88.1966 Phi 92.3358 phi2 194.78 scatter 0.0 fraction 1.0 (gauss) phi1 88.1966 Phi 92.3358 phi2 194.78
[Grain007] [Grain007]
(gauss) phi1 161.137 Phi 78.0062 phi2 111.948 scatter 0.0 fraction 1.0 (gauss) phi1 161.137 Phi 78.0062 phi2 111.948
[Grain008] [Grain008]
(gauss) phi1 169.792 Phi 89.5333 phi2 159.265 scatter 0.0 fraction 1.0 (gauss) phi1 169.792 Phi 89.5333 phi2 159.265
[Grain009] [Grain009]
(gauss) phi1 264.847 Phi 130.291 phi2 180.604 scatter 0.0 fraction 1.0 (gauss) phi1 264.847 Phi 130.291 phi2 180.604
[Grain010] [Grain010]
(gauss) phi1 70.6323 Phi 84.1754 phi2 341.162 scatter 0.0 fraction 1.0 (gauss) phi1 70.6323 Phi 84.1754 phi2 341.162
[Grain011] [Grain011]
(gauss) phi1 67.7751 Phi 36.1662 phi2 139.898 scatter 0.0 fraction 1.0 (gauss) phi1 67.7751 Phi 36.1662 phi2 139.898
[Grain012] [Grain012]
(gauss) phi1 111.621 Phi 19.1089 phi2 228.338 scatter 0.0 fraction 1.0 (gauss) phi1 111.621 Phi 19.1089 phi2 228.338
[Grain013] [Grain013]
(gauss) phi1 129.9 Phi 139.011 phi2 238.735 scatter 0.0 fraction 1.0 (gauss) phi1 129.9 Phi 139.011 phi2 238.735
[Grain014] [Grain014]
(gauss) phi1 221.405 Phi 129.743 phi2 99.6471 scatter 0.0 fraction 1.0 (gauss) phi1 221.405 Phi 129.743 phi2 99.6471
[Grain015] [Grain015]
(gauss) phi1 241.783 Phi 98.3729 phi2 260.615 scatter 0.0 fraction 1.0 (gauss) phi1 241.783 Phi 98.3729 phi2 260.615
[Grain016] [Grain016]
(gauss) phi1 72.5592 Phi 122.403 phi2 165.046 scatter 0.0 fraction 1.0 (gauss) phi1 72.5592 Phi 122.403 phi2 165.046
[Grain017] [Grain017]
(gauss) phi1 64.8818 Phi 82.6384 phi2 236.305 scatter 0.0 fraction 1.0 (gauss) phi1 64.8818 Phi 82.6384 phi2 236.305
[Grain018] [Grain018]
(gauss) phi1 201.096 Phi 65.9312 phi2 330.745 scatter 0.0 fraction 1.0 (gauss) phi1 201.096 Phi 65.9312 phi2 330.745
[Grain019] [Grain019]
(gauss) phi1 192.994 Phi 81.9371 phi2 239.326 scatter 0.0 fraction 1.0 (gauss) phi1 192.994 Phi 81.9371 phi2 239.326
[Grain020] [Grain020]
(gauss) phi1 125.335 Phi 90.4527 phi2 207.982 scatter 0.0 fraction 1.0 (gauss) phi1 125.335 Phi 90.4527 phi2 207.982
[Grain021] [Grain021]
(gauss) phi1 55.8848 Phi 26.4455 phi2 100.921 scatter 0.0 fraction 1.0 (gauss) phi1 55.8848 Phi 26.4455 phi2 100.921
[Grain022] [Grain022]
(gauss) phi1 40.722 Phi 95.6415 phi2 269.174 scatter 0.0 fraction 1.0 (gauss) phi1 40.722 Phi 95.6415 phi2 269.174
[Grain023] [Grain023]
(gauss) phi1 250.487 Phi 69.6035 phi2 201.732 scatter 0.0 fraction 1.0 (gauss) phi1 250.487 Phi 69.6035 phi2 201.732
[Grain024] [Grain024]
(gauss) phi1 204.199 Phi 84.983 phi2 20.3469 scatter 0.0 fraction 1.0 (gauss) phi1 204.199 Phi 84.983 phi2 20.3469
[Grain025] [Grain025]
(gauss) phi1 12.7416 Phi 128.589 phi2 271.553 scatter 0.0 fraction 1.0 (gauss) phi1 12.7416 Phi 128.589 phi2 271.553
[Grain026] [Grain026]
(gauss) phi1 299.704 Phi 85.3961 phi2 217.359 scatter 0.0 fraction 1.0 (gauss) phi1 299.704 Phi 85.3961 phi2 217.359
[Grain027] [Grain027]
(gauss) phi1 48.8232 Phi 83.6209 phi2 200.361 scatter 0.0 fraction 1.0 (gauss) phi1 48.8232 Phi 83.6209 phi2 200.361
[Grain028] [Grain028]
(gauss) phi1 336.395 Phi 97.3059 phi2 187.071 scatter 0.0 fraction 1.0 (gauss) phi1 336.395 Phi 97.3059 phi2 187.071
[Grain029] [Grain029]
(gauss) phi1 274.354 Phi 78.2424 phi2 320.308 scatter 0.0 fraction 1.0 (gauss) phi1 274.354 Phi 78.2424 phi2 320.308
[Grain030] [Grain030]
(gauss) phi1 320.776 Phi 149.72 phi2 163.862 scatter 0.0 fraction 1.0 (gauss) phi1 320.776 Phi 149.72 phi2 163.862
[Grain031] [Grain031]
(gauss) phi1 179.549 Phi 106.548 phi2 345.498 scatter 0.0 fraction 1.0 (gauss) phi1 179.549 Phi 106.548 phi2 345.498
[Grain032] [Grain032]
(gauss) phi1 163.508 Phi 24.4238 phi2 127.809 scatter 0.0 fraction 1.0 (gauss) phi1 163.508 Phi 24.4238 phi2 127.809
[Grain033] [Grain033]
(gauss) phi1 193.405 Phi 157.012 phi2 321.342 scatter 0.0 fraction 1.0 (gauss) phi1 193.405 Phi 157.012 phi2 321.342
[Grain034] [Grain034]
(gauss) phi1 9.09886 Phi 95.9453 phi2 102.32 scatter 0.0 fraction 1.0 (gauss) phi1 9.09886 Phi 95.9453 phi2 102.32
[Grain035] [Grain035]
(gauss) phi1 353.876 Phi 150.824 phi2 174.886 scatter 0.0 fraction 1.0 (gauss) phi1 353.876 Phi 150.824 phi2 174.886
[Grain036] [Grain036]
(gauss) phi1 138.914 Phi 76.5811 phi2 167.927 scatter 0.0 fraction 1.0 (gauss) phi1 138.914 Phi 76.5811 phi2 167.927
[Grain037] [Grain037]
(gauss) phi1 262.655 Phi 76.2738 phi2 12.4459 scatter 0.0 fraction 1.0 (gauss) phi1 262.655 Phi 76.2738 phi2 12.4459
[Grain038] [Grain038]
(gauss) phi1 121.849 Phi 65.5254 phi2 192.601 scatter 0.0 fraction 1.0 (gauss) phi1 121.849 Phi 65.5254 phi2 192.601
[Grain039] [Grain039]
(gauss) phi1 275.824 Phi 81.6788 phi2 164.228 scatter 0.0 fraction 1.0 (gauss) phi1 275.824 Phi 81.6788 phi2 164.228
[Grain040] [Grain040]
(gauss) phi1 68.9202 Phi 160.5 phi2 210.862 scatter 0.0 fraction 1.0 (gauss) phi1 68.9202 Phi 160.5 phi2 210.862
[Grain041] [Grain041]
(gauss) phi1 51.0398 Phi 82.7291 phi2 74.016 scatter 0.0 fraction 1.0 (gauss) phi1 51.0398 Phi 82.7291 phi2 74.016
[Grain042] [Grain042]
(gauss) phi1 338.746 Phi 62.7854 phi2 129.362 scatter 0.0 fraction 1.0 (gauss) phi1 338.746 Phi 62.7854 phi2 129.362
[Grain043] [Grain043]
(gauss) phi1 204.51 Phi 151.256 phi2 178.89 scatter 0.0 fraction 1.0 (gauss) phi1 204.51 Phi 151.256 phi2 178.89
[Grain044] [Grain044]
(gauss) phi1 122.098 Phi 104.003 phi2 323.04 scatter 0.0 fraction 1.0 (gauss) phi1 122.098 Phi 104.003 phi2 323.04
[Grain045] [Grain045]
(gauss) phi1 106.693 Phi 108.61 phi2 336.935 scatter 0.0 fraction 1.0 (gauss) phi1 106.693 Phi 108.61 phi2 336.935
[Grain046] [Grain046]
(gauss) phi1 118.856 Phi 160.992 phi2 316.152 scatter 0.0 fraction 1.0 (gauss) phi1 118.856 Phi 160.992 phi2 316.152
[Grain047] [Grain047]
(gauss) phi1 177.962 Phi 114.868 phi2 13.6918 scatter 0.0 fraction 1.0 (gauss) phi1 177.962 Phi 114.868 phi2 13.6918
[Grain048] [Grain048]
(gauss) phi1 330.273 Phi 174.495 phi2 231.249 scatter 0.0 fraction 1.0 (gauss) phi1 330.273 Phi 174.495 phi2 231.249
[Grain049] [Grain049]
(gauss) phi1 7.31937 Phi 94.7313 phi2 17.8461 scatter 0.0 fraction 1.0 (gauss) phi1 7.31937 Phi 94.7313 phi2 17.8461
[Grain050] [Grain050]
(gauss) phi1 74.3385 Phi 49.9546 phi2 286.482 scatter 0.0 fraction 1.0 (gauss) phi1 74.3385 Phi 49.9546 phi2 286.482
[Grain051] [Grain051]
(gauss) phi1 326.388 Phi 76.9547 phi2 214.758 scatter 0.0 fraction 1.0 (gauss) phi1 326.388 Phi 76.9547 phi2 214.758
[Grain052] [Grain052]
(gauss) phi1 276.024 Phi 72.1242 phi2 275.884 scatter 0.0 fraction 1.0 (gauss) phi1 276.024 Phi 72.1242 phi2 275.884
[Grain053] [Grain053]
(gauss) phi1 137.681 Phi 116.99 phi2 6.87047 scatter 0.0 fraction 1.0 (gauss) phi1 137.681 Phi 116.99 phi2 6.87047
[Grain054] [Grain054]
(gauss) phi1 200.213 Phi 123.618 phi2 268.84 scatter 0.0 fraction 1.0 (gauss) phi1 200.213 Phi 123.618 phi2 268.84
[Grain055] [Grain055]
(gauss) phi1 7.13702 Phi 56.2015 phi2 119.65 scatter 0.0 fraction 1.0 (gauss) phi1 7.13702 Phi 56.2015 phi2 119.65
[Grain056] [Grain056]
(gauss) phi1 72.1783 Phi 81.0906 phi2 6.06213 scatter 0.0 fraction 1.0 (gauss) phi1 72.1783 Phi 81.0906 phi2 6.06213
[Grain057] [Grain057]
(gauss) phi1 184.565 Phi 110.01 phi2 239.546 scatter 0.0 fraction 1.0 (gauss) phi1 184.565 Phi 110.01 phi2 239.546
[Grain058] [Grain058]
(gauss) phi1 210.124 Phi 128.631 phi2 8.61611 scatter 0.0 fraction 1.0 (gauss) phi1 210.124 Phi 128.631 phi2 8.61611
[Grain059] [Grain059]
(gauss) phi1 290.326 Phi 170.412 phi2 144.269 scatter 0.0 fraction 1.0 (gauss) phi1 290.326 Phi 170.412 phi2 144.269
[Grain060] [Grain060]
(gauss) phi1 204.748 Phi 76.7343 phi2 200.385 scatter 0.0 fraction 1.0 (gauss) phi1 204.748 Phi 76.7343 phi2 200.385
[Grain061] [Grain061]
(gauss) phi1 54.3015 Phi 65.9143 phi2 117.373 scatter 0.0 fraction 1.0 (gauss) phi1 54.3015 Phi 65.9143 phi2 117.373
[Grain062] [Grain062]
(gauss) phi1 261.263 Phi 52.255 phi2 95.9146 scatter 0.0 fraction 1.0 (gauss) phi1 261.263 Phi 52.255 phi2 95.9146
[Grain063] [Grain063]
(gauss) phi1 328.054 Phi 51.0778 phi2 24.2782 scatter 0.0 fraction 1.0 (gauss) phi1 328.054 Phi 51.0778 phi2 24.2782
[Grain064] [Grain064]
(gauss) phi1 163.03 Phi 154.894 phi2 64.126 scatter 0.0 fraction 1.0 (gauss) phi1 163.03 Phi 154.894 phi2 64.126
[Grain065] [Grain065]
(gauss) phi1 183.87 Phi 80.1848 phi2 18.7438 scatter 0.0 fraction 1.0 (gauss) phi1 183.87 Phi 80.1848 phi2 18.7438
[Grain066] [Grain066]
(gauss) phi1 219.91 Phi 113.727 phi2 126.67 scatter 0.0 fraction 1.0 (gauss) phi1 219.91 Phi 113.727 phi2 126.67
[Grain067] [Grain067]
(gauss) phi1 1.43844 Phi 87.6365 phi2 217.342 scatter 0.0 fraction 1.0 (gauss) phi1 1.43844 Phi 87.6365 phi2 217.342
[Grain068] [Grain068]
(gauss) phi1 16.6245 Phi 162.07 phi2 43.7899 scatter 0.0 fraction 1.0 (gauss) phi1 16.6245 Phi 162.07 phi2 43.7899
[Grain069] [Grain069]
(gauss) phi1 16.86 Phi 53.8682 phi2 256.917 scatter 0.0 fraction 1.0 (gauss) phi1 16.86 Phi 53.8682 phi2 256.917
[Grain070] [Grain070]
(gauss) phi1 1.01921 Phi 118.449 phi2 307.223 scatter 0.0 fraction 1.0 (gauss) phi1 1.01921 Phi 118.449 phi2 307.223
[Grain071] [Grain071]
(gauss) phi1 19.0397 Phi 83.8885 phi2 262.687 scatter 0.0 fraction 1.0 (gauss) phi1 19.0397 Phi 83.8885 phi2 262.687
[Grain072] [Grain072]
(gauss) phi1 99.799 Phi 77.2307 phi2 84.9727 scatter 0.0 fraction 1.0 (gauss) phi1 99.799 Phi 77.2307 phi2 84.9727
[Grain073] [Grain073]
(gauss) phi1 234.292 Phi 63.5029 phi2 250.315 scatter 0.0 fraction 1.0 (gauss) phi1 234.292 Phi 63.5029 phi2 250.315
[Grain074] [Grain074]
(gauss) phi1 315.529 Phi 106.015 phi2 103.711 scatter 0.0 fraction 1.0 (gauss) phi1 315.529 Phi 106.015 phi2 103.711
[Grain075] [Grain075]
(gauss) phi1 235.595 Phi 110.152 phi2 210.277 scatter 0.0 fraction 1.0 (gauss) phi1 235.595 Phi 110.152 phi2 210.277
[Grain076] [Grain076]
(gauss) phi1 341.907 Phi 17.1839 phi2 332.75 scatter 0.0 fraction 1.0 (gauss) phi1 341.907 Phi 17.1839 phi2 332.75
[Grain077] [Grain077]
(gauss) phi1 352.166 Phi 88.6049 phi2 114.964 scatter 0.0 fraction 1.0 (gauss) phi1 352.166 Phi 88.6049 phi2 114.964
[Grain078] [Grain078]
(gauss) phi1 342.33 Phi 117.777 phi2 180.346 scatter 0.0 fraction 1.0 (gauss) phi1 342.33 Phi 117.777 phi2 180.346
[Grain079] [Grain079]
(gauss) phi1 224.952 Phi 70.5702 phi2 148.486 scatter 0.0 fraction 1.0 (gauss) phi1 224.952 Phi 70.5702 phi2 148.486
[Grain080] [Grain080]
(gauss) phi1 7.71702 Phi 23.6124 phi2 131.591 scatter 0.0 fraction 1.0 (gauss) phi1 7.71702 Phi 23.6124 phi2 131.591
[Grain081] [Grain081]
(gauss) phi1 65.1024 Phi 138.774 phi2 247.344 scatter 0.0 fraction 1.0 (gauss) phi1 65.1024 Phi 138.774 phi2 247.344
[Grain082] [Grain082]
(gauss) phi1 37.6181 Phi 51.5209 phi2 8.4169 scatter 0.0 fraction 1.0 (gauss) phi1 37.6181 Phi 51.5209 phi2 8.4169
[Grain083] [Grain083]
(gauss) phi1 245.335 Phi 53.4543 phi2 52.5205 scatter 0.0 fraction 1.0 (gauss) phi1 245.335 Phi 53.4543 phi2 52.5205
[Grain084] [Grain084]
(gauss) phi1 259.572 Phi 87.7026 phi2 272.065 scatter 0.0 fraction 1.0 (gauss) phi1 259.572 Phi 87.7026 phi2 272.065
[Grain085] [Grain085]
(gauss) phi1 269.39 Phi 103.379 phi2 132.506 scatter 0.0 fraction 1.0 (gauss) phi1 269.39 Phi 103.379 phi2 132.506
[Grain086] [Grain086]
(gauss) phi1 175.156 Phi 119.338 phi2 355.51 scatter 0.0 fraction 1.0 (gauss) phi1 175.156 Phi 119.338 phi2 355.51
[Grain087] [Grain087]
(gauss) phi1 248.11 Phi 39.4772 phi2 310.371 scatter 0.0 fraction 1.0 (gauss) phi1 248.11 Phi 39.4772 phi2 310.371
[Grain088] [Grain088]
(gauss) phi1 121.809 Phi 141.465 phi2 10.0736 scatter 0.0 fraction 1.0 (gauss) phi1 121.809 Phi 141.465 phi2 10.0736
[Grain089] [Grain089]
(gauss) phi1 2.4357 Phi 47.118 phi2 274.654 scatter 0.0 fraction 1.0 (gauss) phi1 2.4357 Phi 47.118 phi2 274.654
[Grain090] [Grain090]
(gauss) phi1 314.188 Phi 134.146 phi2 250.673 scatter 0.0 fraction 1.0 (gauss) phi1 314.188 Phi 134.146 phi2 250.673
[Grain091] [Grain091]
(gauss) phi1 114.815 Phi 121.132 phi2 275.124 scatter 0.0 fraction 1.0 (gauss) phi1 114.815 Phi 121.132 phi2 275.124
[Grain092] [Grain092]
(gauss) phi1 126.699 Phi 99.0325 phi2 320.537 scatter 0.0 fraction 1.0 (gauss) phi1 126.699 Phi 99.0325 phi2 320.537
[Grain093] [Grain093]
(gauss) phi1 184.138 Phi 20.1663 phi2 159.314 scatter 0.0 fraction 1.0 (gauss) phi1 184.138 Phi 20.1663 phi2 159.314
[Grain094] [Grain094]
(gauss) phi1 296.502 Phi 15.2389 phi2 39.382 scatter 0.0 fraction 1.0 (gauss) phi1 296.502 Phi 15.2389 phi2 39.382
[Grain095] [Grain095]
(gauss) phi1 167.8 Phi 151.764 phi2 192.568 scatter 0.0 fraction 1.0 (gauss) phi1 167.8 Phi 151.764 phi2 192.568
[Grain096] [Grain096]
(gauss) phi1 257.822 Phi 133.446 phi2 257.108 scatter 0.0 fraction 1.0 (gauss) phi1 257.822 Phi 133.446 phi2 257.108
[Grain097] [Grain097]
(gauss) phi1 71.6923 Phi 74.5726 phi2 342.575 scatter 0.0 fraction 1.0 (gauss) phi1 71.6923 Phi 74.5726 phi2 342.575
[Grain098] [Grain098]
(gauss) phi1 176.748 Phi 28.39 phi2 327.375 scatter 0.0 fraction 1.0 (gauss) phi1 176.748 Phi 28.39 phi2 327.375
[Grain099] [Grain099]
(gauss) phi1 121.822 Phi 141.836 phi2 22.6349 scatter 0.0 fraction 1.0 (gauss) phi1 121.822 Phi 141.836 phi2 22.6349
[Grain100] [Grain100]
(gauss) phi1 180.151 Phi 109.246 phi2 146.177 scatter 0.0 fraction 1.0 (gauss) phi1 180.151 Phi 109.246 phi2 146.177

308
examples/MSC.Marc/material.config
View File

@ -9,307 +9,206 @@
#-------------------# #-------------------#
[Grain001] [Grain001]
crystallite 1
(constituent) phase 1 texture 1 fraction 1.0 (constituent) phase 1 texture 1 fraction 1.0
[Grain002] [Grain002]
crystallite 1
(constituent) phase 1 texture 2 fraction 1.0 (constituent) phase 1 texture 2 fraction 1.0
[Grain003] [Grain003]
crystallite 1
(constituent) phase 1 texture 3 fraction 1.0 (constituent) phase 1 texture 3 fraction 1.0
[Grain004] [Grain004]
crystallite 1
(constituent) phase 1 texture 4 fraction 1.0 (constituent) phase 1 texture 4 fraction 1.0
[Grain005] [Grain005]
crystallite 1
(constituent) phase 1 texture 5 fraction 1.0 (constituent) phase 1 texture 5 fraction 1.0
[Grain006] [Grain006]
crystallite 1
(constituent) phase 1 texture 6 fraction 1.0 (constituent) phase 1 texture 6 fraction 1.0
[Grain007] [Grain007]
crystallite 1
(constituent) phase 1 texture 7 fraction 1.0 (constituent) phase 1 texture 7 fraction 1.0
[Grain008] [Grain008]
crystallite 1
(constituent) phase 1 texture 8 fraction 1.0 (constituent) phase 1 texture 8 fraction 1.0
[Grain009] [Grain009]
crystallite 1
(constituent) phase 1 texture 9 fraction 1.0 (constituent) phase 1 texture 9 fraction 1.0
[Grain010] [Grain010]
crystallite 1
(constituent) phase 1 texture 10 fraction 1.0 (constituent) phase 1 texture 10 fraction 1.0
[Grain011] [Grain011]
crystallite 1
(constituent) phase 1 texture 11 fraction 1.0 (constituent) phase 1 texture 11 fraction 1.0
[Grain012] [Grain012]
crystallite 1
(constituent) phase 1 texture 12 fraction 1.0 (constituent) phase 1 texture 12 fraction 1.0
[Grain013] [Grain013]
crystallite 1
(constituent) phase 1 texture 13 fraction 1.0 (constituent) phase 1 texture 13 fraction 1.0
[Grain014] [Grain014]
crystallite 1
(constituent) phase 1 texture 14 fraction 1.0 (constituent) phase 1 texture 14 fraction 1.0
[Grain015] [Grain015]
crystallite 1
(constituent) phase 1 texture 15 fraction 1.0 (constituent) phase 1 texture 15 fraction 1.0
[Grain016] [Grain016]
crystallite 1
(constituent) phase 1 texture 16 fraction 1.0 (constituent) phase 1 texture 16 fraction 1.0
[Grain017] [Grain017]
crystallite 1
(constituent) phase 1 texture 17 fraction 1.0 (constituent) phase 1 texture 17 fraction 1.0
[Grain018] [Grain018]
crystallite 1
(constituent) phase 1 texture 18 fraction 1.0 (constituent) phase 1 texture 18 fraction 1.0
[Grain019] [Grain019]
crystallite 1
(constituent) phase 1 texture 19 fraction 1.0 (constituent) phase 1 texture 19 fraction 1.0
[Grain020] [Grain020]
crystallite 1
(constituent) phase 1 texture 20 fraction 1.0 (constituent) phase 1 texture 20 fraction 1.0
[Grain021] [Grain021]
crystallite 1
(constituent) phase 1 texture 21 fraction 1.0 (constituent) phase 1 texture 21 fraction 1.0
[Grain022] [Grain022]
crystallite 1
(constituent) phase 1 texture 22 fraction 1.0 (constituent) phase 1 texture 22 fraction 1.0
[Grain023] [Grain023]
crystallite 1
(constituent) phase 1 texture 23 fraction 1.0 (constituent) phase 1 texture 23 fraction 1.0
[Grain024] [Grain024]
crystallite 1
(constituent) phase 1 texture 24 fraction 1.0 (constituent) phase 1 texture 24 fraction 1.0
[Grain025] [Grain025]
crystallite 1
(constituent) phase 1 texture 25 fraction 1.0 (constituent) phase 1 texture 25 fraction 1.0
[Grain026] [Grain026]
crystallite 1
(constituent) phase 1 texture 26 fraction 1.0 (constituent) phase 1 texture 26 fraction 1.0
[Grain027] [Grain027]
crystallite 1
(constituent) phase 1 texture 27 fraction 1.0 (constituent) phase 1 texture 27 fraction 1.0
[Grain028] [Grain028]
crystallite 1
(constituent) phase 1 texture 28 fraction 1.0 (constituent) phase 1 texture 28 fraction 1.0
[Grain029] [Grain029]
crystallite 1
(constituent) phase 1 texture 29 fraction 1.0 (constituent) phase 1 texture 29 fraction 1.0
[Grain030] [Grain030]
crystallite 1
(constituent) phase 1 texture 30 fraction 1.0 (constituent) phase 1 texture 30 fraction 1.0
[Grain031] [Grain031]
crystallite 1
(constituent) phase 1 texture 31 fraction 1.0 (constituent) phase 1 texture 31 fraction 1.0
[Grain032] [Grain032]
crystallite 1
(constituent) phase 1 texture 32 fraction 1.0 (constituent) phase 1 texture 32 fraction 1.0
[Grain033] [Grain033]
crystallite 1
(constituent) phase 1 texture 33 fraction 1.0 (constituent) phase 1 texture 33 fraction 1.0
[Grain034] [Grain034]
crystallite 1
(constituent) phase 1 texture 34 fraction 1.0 (constituent) phase 1 texture 34 fraction 1.0
[Grain035] [Grain035]
crystallite 1
(constituent) phase 1 texture 35 fraction 1.0 (constituent) phase 1 texture 35 fraction 1.0
[Grain036] [Grain036]
crystallite 1
(constituent) phase 1 texture 36 fraction 1.0 (constituent) phase 1 texture 36 fraction 1.0
[Grain037] [Grain037]
crystallite 1
(constituent) phase 1 texture 37 fraction 1.0 (constituent) phase 1 texture 37 fraction 1.0
[Grain038] [Grain038]
crystallite 1
(constituent) phase 1 texture 38 fraction 1.0 (constituent) phase 1 texture 38 fraction 1.0
[Grain039] [Grain039]
crystallite 1
(constituent) phase 1 texture 39 fraction 1.0 (constituent) phase 1 texture 39 fraction 1.0
[Grain040] [Grain040]
crystallite 1
(constituent) phase 1 texture 40 fraction 1.0 (constituent) phase 1 texture 40 fraction 1.0
[Grain041] [Grain041]
crystallite 1
(constituent) phase 1 texture 41 fraction 1.0 (constituent) phase 1 texture 41 fraction 1.0
[Grain042] [Grain042]
crystallite 1
(constituent) phase 1 texture 42 fraction 1.0 (constituent) phase 1 texture 42 fraction 1.0
[Grain043] [Grain043]
crystallite 1
(constituent) phase 1 texture 43 fraction 1.0 (constituent) phase 1 texture 43 fraction 1.0
[Grain044] [Grain044]
crystallite 1
(constituent) phase 1 texture 44 fraction 1.0 (constituent) phase 1 texture 44 fraction 1.0
[Grain045] [Grain045]
crystallite 1
(constituent) phase 1 texture 45 fraction 1.0 (constituent) phase 1 texture 45 fraction 1.0
[Grain046] [Grain046]
crystallite 1
(constituent) phase 1 texture 46 fraction 1.0 (constituent) phase 1 texture 46 fraction 1.0
[Grain047] [Grain047]
crystallite 1
(constituent) phase 1 texture 47 fraction 1.0 (constituent) phase 1 texture 47 fraction 1.0
[Grain048] [Grain048]
crystallite 1
(constituent) phase 1 texture 48 fraction 1.0 (constituent) phase 1 texture 48 fraction 1.0
[Grain049] [Grain049]
crystallite 1
(constituent) phase 1 texture 49 fraction 1.0 (constituent) phase 1 texture 49 fraction 1.0
[Grain050] [Grain050]
crystallite 1
(constituent) phase 1 texture 50 fraction 1.0 (constituent) phase 1 texture 50 fraction 1.0
[Grain051] [Grain051]
crystallite 1
(constituent) phase 1 texture 51 fraction 1.0 (constituent) phase 1 texture 51 fraction 1.0
[Grain052] [Grain052]
crystallite 1
(constituent) phase 1 texture 52 fraction 1.0 (constituent) phase 1 texture 52 fraction 1.0
[Grain053] [Grain053]
crystallite 1
(constituent) phase 1 texture 53 fraction 1.0 (constituent) phase 1 texture 53 fraction 1.0
[Grain054] [Grain054]
crystallite 1
(constituent) phase 1 texture 54 fraction 1.0 (constituent) phase 1 texture 54 fraction 1.0
[Grain055] [Grain055]
crystallite 1
(constituent) phase 1 texture 55 fraction 1.0 (constituent) phase 1 texture 55 fraction 1.0
[Grain056] [Grain056]
crystallite 1
(constituent) phase 1 texture 56 fraction 1.0 (constituent) phase 1 texture 56 fraction 1.0
[Grain057] [Grain057]
crystallite 1
(constituent) phase 1 texture 57 fraction 1.0 (constituent) phase 1 texture 57 fraction 1.0
[Grain058] [Grain058]
crystallite 1
(constituent) phase 1 texture 58 fraction 1.0 (constituent) phase 1 texture 58 fraction 1.0
[Grain059] [Grain059]
crystallite 1
(constituent) phase 1 texture 59 fraction 1.0 (constituent) phase 1 texture 59 fraction 1.0
[Grain060] [Grain060]
crystallite 1
(constituent) phase 1 texture 60 fraction 1.0 (constituent) phase 1 texture 60 fraction 1.0
[Grain061] [Grain061]
crystallite 1
(constituent) phase 1 texture 61 fraction 1.0 (constituent) phase 1 texture 61 fraction 1.0
[Grain062] [Grain062]
crystallite 1
(constituent) phase 1 texture 62 fraction 1.0 (constituent) phase 1 texture 62 fraction 1.0
[Grain063] [Grain063]
crystallite 1
(constituent) phase 1 texture 63 fraction 1.0 (constituent) phase 1 texture 63 fraction 1.0
[Grain064] [Grain064]
crystallite 1
(constituent) phase 1 texture 64 fraction 1.0 (constituent) phase 1 texture 64 fraction 1.0
[Grain065] [Grain065]
crystallite 1
(constituent) phase 1 texture 65 fraction 1.0 (constituent) phase 1 texture 65 fraction 1.0
[Grain066] [Grain066]
crystallite 1
(constituent) phase 1 texture 66 fraction 1.0 (constituent) phase 1 texture 66 fraction 1.0
[Grain067] [Grain067]
crystallite 1
(constituent) phase 1 texture 67 fraction 1.0 (constituent) phase 1 texture 67 fraction 1.0
[Grain068] [Grain068]
crystallite 1
(constituent) phase 1 texture 68 fraction 1.0 (constituent) phase 1 texture 68 fraction 1.0
[Grain069] [Grain069]
crystallite 1
(constituent) phase 1 texture 69 fraction 1.0 (constituent) phase 1 texture 69 fraction 1.0
[Grain070] [Grain070]
crystallite 1
(constituent) phase 1 texture 70 fraction 1.0 (constituent) phase 1 texture 70 fraction 1.0
[Grain071] [Grain071]
crystallite 1
(constituent) phase 1 texture 71 fraction 1.0 (constituent) phase 1 texture 71 fraction 1.0
[Grain072] [Grain072]
crystallite 1
(constituent) phase 1 texture 72 fraction 1.0 (constituent) phase 1 texture 72 fraction 1.0
[Grain073] [Grain073]
crystallite 1
(constituent) phase 1 texture 73 fraction 1.0 (constituent) phase 1 texture 73 fraction 1.0
[Grain074] [Grain074]
crystallite 1
(constituent) phase 1 texture 74 fraction 1.0 (constituent) phase 1 texture 74 fraction 1.0
[Grain075] [Grain075]
crystallite 1
(constituent) phase 1 texture 75 fraction 1.0 (constituent) phase 1 texture 75 fraction 1.0
[Grain076] [Grain076]
crystallite 1
(constituent) phase 1 texture 76 fraction 1.0 (constituent) phase 1 texture 76 fraction 1.0
[Grain077] [Grain077]
crystallite 1
(constituent) phase 1 texture 77 fraction 1.0 (constituent) phase 1 texture 77 fraction 1.0
[Grain078] [Grain078]
crystallite 1
(constituent) phase 1 texture 78 fraction 1.0 (constituent) phase 1 texture 78 fraction 1.0
[Grain079] [Grain079]
crystallite 1
(constituent) phase 1 texture 79 fraction 1.0 (constituent) phase 1 texture 79 fraction 1.0
[Grain080] [Grain080]
crystallite 1
(constituent) phase 1 texture 80 fraction 1.0 (constituent) phase 1 texture 80 fraction 1.0
[Grain081] [Grain081]
crystallite 1
(constituent) phase 1 texture 81 fraction 1.0 (constituent) phase 1 texture 81 fraction 1.0
[Grain082] [Grain082]
crystallite 1
(constituent) phase 1 texture 82 fraction 1.0 (constituent) phase 1 texture 82 fraction 1.0
[Grain083] [Grain083]
crystallite 1
(constituent) phase 1 texture 83 fraction 1.0 (constituent) phase 1 texture 83 fraction 1.0
[Grain084] [Grain084]
crystallite 1
(constituent) phase 1 texture 84 fraction 1.0 (constituent) phase 1 texture 84 fraction 1.0
[Grain085] [Grain085]
crystallite 1
(constituent) phase 1 texture 85 fraction 1.0 (constituent) phase 1 texture 85 fraction 1.0
[Grain086] [Grain086]
crystallite 1
(constituent) phase 1 texture 86 fraction 1.0 (constituent) phase 1 texture 86 fraction 1.0
[Grain087] [Grain087]
crystallite 1
(constituent) phase 1 texture 87 fraction 1.0 (constituent) phase 1 texture 87 fraction 1.0
[Grain088] [Grain088]
crystallite 1
(constituent) phase 1 texture 88 fraction 1.0 (constituent) phase 1 texture 88 fraction 1.0
[Grain089] [Grain089]
crystallite 1
(constituent) phase 1 texture 89 fraction 1.0 (constituent) phase 1 texture 89 fraction 1.0
[Grain090] [Grain090]
crystallite 1
(constituent) phase 1 texture 90 fraction 1.0 (constituent) phase 1 texture 90 fraction 1.0
[Grain091] [Grain091]
crystallite 1
(constituent) phase 1 texture 91 fraction 1.0 (constituent) phase 1 texture 91 fraction 1.0
[Grain092] [Grain092]
crystallite 1
(constituent) phase 1 texture 92 fraction 1.0 (constituent) phase 1 texture 92 fraction 1.0
[Grain093] [Grain093]
crystallite 1
(constituent) phase 1 texture 93 fraction 1.0 (constituent) phase 1 texture 93 fraction 1.0
[Grain094] [Grain094]
crystallite 1
(constituent) phase 1 texture 94 fraction 1.0 (constituent) phase 1 texture 94 fraction 1.0
[Grain095] [Grain095]
crystallite 1
(constituent) phase 1 texture 95 fraction 1.0 (constituent) phase 1 texture 95 fraction 1.0
[Grain096] [Grain096]
crystallite 1
(constituent) phase 1 texture 96 fraction 1.0 (constituent) phase 1 texture 96 fraction 1.0
[Grain097] [Grain097]
crystallite 1
(constituent) phase 1 texture 97 fraction 1.0 (constituent) phase 1 texture 97 fraction 1.0
[Grain098] [Grain098]
crystallite 1
(constituent) phase 1 texture 98 fraction 1.0 (constituent) phase 1 texture 98 fraction 1.0
[Grain099] [Grain099]
crystallite 1
(constituent) phase 1 texture 99 fraction 1.0 (constituent) phase 1 texture 99 fraction 1.0
[Grain100] [Grain100]
crystallite 1
(constituent) phase 1 texture 100 fraction 1.0 (constituent) phase 1 texture 100 fraction 1.0
[cubeGrain] [cubeGrain]
crystallite 1
(constituent) phase 1 texture 101 fraction 1.0 (constituent) phase 1 texture 101 fraction 1.0
#-------------------# #-------------------#
@ -317,214 +216,209 @@ crystallite 1
#-------------------# #-------------------#
[Grain001] [Grain001]
(gauss) phi1 359.121452 Phi 82.319471 Phi2 347.729535 scatter 0 fraction 1 (gauss) phi1 359.121452 Phi 82.319471 Phi2 347.729535
[Grain002] [Grain002]
(gauss) phi1 269.253967 Phi 105.379919 Phi2 173.029284 scatter 0 fraction 1 (gauss) phi1 269.253967 Phi 105.379919 Phi2 173.029284
[Grain003] [Grain003]
(gauss) phi1 26.551535 Phi 171.606752 Phi2 124.949264 scatter 0 fraction 1 (gauss) phi1 26.551535 Phi 171.606752 Phi2 124.949264
[Grain004] [Grain004]
(gauss) phi1 123.207774 Phi 124.339577 Phi2 47.937748 scatter 0 fraction 1 (gauss) phi1 123.207774 Phi 124.339577 Phi2 47.937748
[Grain005] [Grain005]
(gauss) phi1 324.188825 Phi 103.089216 Phi2 160.373624 scatter 0 fraction 1 (gauss) phi1 324.188825 Phi 103.089216 Phi2 160.373624
[Grain006] [Grain006]
(gauss) phi1 238.295585 Phi 165.416882 Phi2 234.307741 scatter 0 fraction 1 (gauss) phi1 238.295585 Phi 165.416882 Phi2 234.307741
[Grain007] [Grain007]
(gauss) phi1 232.707177 Phi 110.733726 Phi2 308.049265 scatter 0 fraction 1 (gauss) phi1 232.707177 Phi 110.733726 Phi2 308.049265
[Grain008] [Grain008]
(gauss) phi1 144.463291 Phi 125.891441 Phi2 348.674207 scatter 0 fraction 1 (gauss) phi1 144.463291 Phi 125.891441 Phi2 348.674207
[Grain009] [Grain009]
(gauss) phi1 215.423832 Phi 69.759502 Phi2 164.477632 scatter 0 fraction 1 (gauss) phi1 215.423832 Phi 69.759502 Phi2 164.477632
[Grain010] [Grain010]
(gauss) phi1 118.805444 Phi 143.057031 Phi2 271.963190 scatter 0 fraction 1 (gauss) phi1 118.805444 Phi 143.057031 Phi2 271.963190
[Grain011] [Grain011]
(gauss) phi1 218.049576 Phi 64.017550 Phi2 323.040457 scatter 0 fraction 1 (gauss) phi1 218.049576 Phi 64.017550 Phi2 323.040457
[Grain012] [Grain012]
(gauss) phi1 236.962483 Phi 134.312093 Phi2 220.433366 scatter 0 fraction 1 (gauss) phi1 236.962483 Phi 134.312093 Phi2 220.433366
[Grain013] [Grain013]
(gauss) phi1 352.317686 Phi 3.356527 Phi2 92.447275 scatter 0 fraction 1 (gauss) phi1 352.317686 Phi 3.356527 Phi2 92.447275
[Grain014] [Grain014]
(gauss) phi1 198.311545 Phi 71.452240 Phi2 199.441849 scatter 0 fraction 1 (gauss) phi1 198.311545 Phi 71.452240 Phi2 199.441849
[Grain015] [Grain015]
(gauss) phi1 351.993635 Phi 36.500987 Phi2 236.852886 scatter 0 fraction 1 (gauss) phi1 351.993635 Phi 36.500987 Phi2 236.852886
[Grain016] [Grain016]
(gauss) phi1 262.389063 Phi 101.249950 Phi2 334.305959 scatter 0 fraction 1 (gauss) phi1 262.389063 Phi 101.249950 Phi2 334.305959
[Grain017] [Grain017]
(gauss) phi1 53.220668 Phi 69.570254 Phi2 277.061151 scatter 0 fraction 1 (gauss) phi1 53.220668 Phi 69.570254 Phi2 277.061151
[Grain018] [Grain018]
(gauss) phi1 122.156119 Phi 140.207051 Phi2 221.172906 scatter 0 fraction 1 (gauss) phi1 122.156119 Phi 140.207051 Phi2 221.172906
[Grain019] [Grain019]
(gauss) phi1 295.422170 Phi 26.595511 Phi2 263.206315 scatter 0 fraction 1 (gauss) phi1 295.422170 Phi 26.595511 Phi2 263.206315
[Grain020] [Grain020]
(gauss) phi1 179.137406 Phi 104.500977 Phi2 151.742108 scatter 0 fraction 1 (gauss) phi1 179.137406 Phi 104.500977 Phi2 151.742108
[Grain021] [Grain021]
(gauss) phi1 199.045094 Phi 5.228899 Phi2 356.542109 scatter 0 fraction 1 (gauss) phi1 199.045094 Phi 5.228899 Phi2 356.542109
[Grain022] [Grain022]
(gauss) phi1 268.671476 Phi 24.835403 Phi2 33.578889 scatter 0 fraction 1 (gauss) phi1 268.671476 Phi 24.835403 Phi2 33.578889
[Grain023] [Grain023]
(gauss) phi1 264.248527 Phi 59.766630 Phi2 340.865462 scatter 0 fraction 1 (gauss) phi1 264.248527 Phi 59.766630 Phi2 340.865462
[Grain024] [Grain024]
(gauss) phi1 254.223491 Phi 51.125301 Phi2 201.094027 scatter 0 fraction 1 (gauss) phi1 254.223491 Phi 51.125301 Phi2 201.094027
[Grain025] [Grain025]
(gauss) phi1 22.214008 Phi 92.248774 Phi2 215.168318 scatter 0 fraction 1 (gauss) phi1 22.214008 Phi 92.248774 Phi2 215.168318
[Grain026] [Grain026]
(gauss) phi1 49.511491 Phi 79.933539 Phi2 187.188575 scatter 0 fraction 1 (gauss) phi1 49.511491 Phi 79.933539 Phi2 187.188575
[Grain027] [Grain027]
(gauss) phi1 318.916204 Phi 113.102650 Phi2 241.076629 scatter 0 fraction 1 (gauss) phi1 318.916204 Phi 113.102650 Phi2 241.076629
[Grain028] [Grain028]
(gauss) phi1 239.378433 Phi 89.578655 Phi2 94.167043 scatter 0 fraction 1 (gauss) phi1 239.378433 Phi 89.578655 Phi2 94.167043
[Grain029] [Grain029]
(gauss) phi1 27.561421 Phi 142.892093 Phi2 197.735666 scatter 0 fraction 1 (gauss) phi1 27.561421 Phi 142.892093 Phi2 197.735666
[Grain030] [Grain030]
(gauss) phi1 135.210581 Phi 165.859834 Phi2 285.449561 scatter 0 fraction 1 (gauss) phi1 135.210581 Phi 165.859834 Phi2 285.449561
[Grain031] [Grain031]
(gauss) phi1 223.515916 Phi 56.824378 Phi2 343.289074 scatter 0 fraction 1 (gauss) phi1 223.515916 Phi 56.824378 Phi2 343.289074
[Grain032] [Grain032]
(gauss) phi1 41.127974 Phi 111.289145 Phi2 214.855145 scatter 0 fraction 1 (gauss) phi1 41.127974 Phi 111.289145 Phi2 214.855145
[Grain033] [Grain033]
(gauss) phi1 17.335045 Phi 140.496745 Phi2 77.747371 scatter 0 fraction 1 (gauss) phi1 17.335045 Phi 140.496745 Phi2 77.747371
[Grain034] [Grain034]
(gauss) phi1 36.206421 Phi 148.574232 Phi2 88.870226 scatter 0 fraction 1 (gauss) phi1 36.206421 Phi 148.574232 Phi2 88.870226
[Grain035] [Grain035]
(gauss) phi1 159.618336 Phi 125.680504 Phi2 204.119403 scatter 0 fraction 1 (gauss) phi1 159.618336 Phi 125.680504 Phi2 204.119403
[Grain036] [Grain036]
(gauss) phi1 8.752464 Phi 99.173166 Phi2 143.227089 scatter 0 fraction 1 (gauss) phi1 8.752464 Phi 99.173166 Phi2 143.227089
[Grain037] [Grain037]
(gauss) phi1 351.570753 Phi 67.343218 Phi2 1.779612 scatter 0 fraction 1 (gauss) phi1 351.570753 Phi 67.343218 Phi2 1.779612
[Grain038] [Grain038]
(gauss) phi1 46.771572 Phi 155.018674 Phi2 302.319987 scatter 0 fraction 1 (gauss) phi1 46.771572 Phi 155.018674 Phi2 302.319987
[Grain039] [Grain039]
(gauss) phi1 244.255976 Phi 80.566566 Phi2 264.069331 scatter 0 fraction 1 (gauss) phi1 244.255976 Phi 80.566566 Phi2 264.069331
[Grain040] [Grain040]
(gauss) phi1 41.775388 Phi 47.109507 Phi2 300.598550 scatter 0 fraction 1 (gauss) phi1 41.775388 Phi 47.109507 Phi2 300.598550
[Grain041] [Grain041]
(gauss) phi1 268.753103 Phi 46.654050 Phi2 190.382041 scatter 0 fraction 1 (gauss) phi1 268.753103 Phi 46.654050 Phi2 190.382041
[Grain042] [Grain042]
(gauss) phi1 239.574480 Phi 62.517793 Phi2 147.817535 scatter 0 fraction 1 (gauss) phi1 239.574480 Phi 62.517793 Phi2 147.817535
[Grain043] [Grain043]
(gauss) phi1 128.059775 Phi 61.916743 Phi2 169.674359 scatter 0 fraction 1 (gauss) phi1 128.059775 Phi 61.916743 Phi2 169.674359
[Grain044] [Grain044]
(gauss) phi1 166.545156 Phi 58.709099 Phi2 252.885391 scatter 0 fraction 1 (gauss) phi1 166.545156 Phi 58.709099 Phi2 252.885391
[Grain045] [Grain045]
(gauss) phi1 92.867691 Phi 28.906456 Phi2 164.197290 scatter 0 fraction 1 (gauss) phi1 92.867691 Phi 28.906456 Phi2 164.197290
[Grain046] [Grain046]
(gauss) phi1 291.056147 Phi 35.145174 Phi2 250.155599 scatter 0 fraction 1 (gauss) phi1 291.056147 Phi 35.145174 Phi2 250.155599
[Grain047] [Grain047]
(gauss) phi1 79.015862 Phi 44.772479 Phi2 267.982808 scatter 0 fraction 1 (gauss) phi1 79.015862 Phi 44.772479 Phi2 267.982808
[Grain048] [Grain048]
(gauss) phi1 108.400702 Phi 69.883075 Phi2 222.737053 scatter 0 fraction 1 (gauss) phi1 108.400702 Phi 69.883075 Phi2 222.737053
[Grain049] [Grain049]
(gauss) phi1 348.326500 Phi 11.339714 Phi2 121.682346 scatter 0 fraction 1 (gauss) phi1 348.326500 Phi 11.339714 Phi2 121.682346
[Grain050] [Grain050]
(gauss) phi1 331.476209 Phi 108.775043 Phi2 335.139671 scatter 0 fraction 1 (gauss) phi1 331.476209 Phi 108.775043 Phi2 335.139671
[Grain051] [Grain051]
(gauss) phi1 196.750278 Phi 93.955106 Phi2 63.689075 scatter 0 fraction 1 (gauss) phi1 196.750278 Phi 93.955106 Phi2 63.689075
[Grain052] [Grain052]
(gauss) phi1 136.077875 Phi 130.508342 Phi2 128.468976 scatter 0 fraction 1 (gauss) phi1 136.077875 Phi 130.508342 Phi2 128.468976
[Grain053] [Grain053]
(gauss) phi1 239.643513 Phi 76.284643 Phi2 168.821008 scatter 0 fraction 1 (gauss) phi1 239.643513 Phi 76.284643 Phi2 168.821008
[Grain054] [Grain054]
(gauss) phi1 113.850670 Phi 117.531757 Phi2 71.971648 scatter 0 fraction 1 (gauss) phi1 113.850670 Phi 117.531757 Phi2 71.971648
[Grain055] [Grain055]
(gauss) phi1 149.554071 Phi 16.543098 Phi2 195.556172 scatter 0 fraction 1 (gauss) phi1 149.554071 Phi 16.543098 Phi2 195.556172
[Grain056] [Grain056]
(gauss) phi1 46.626579 Phi 52.447846 Phi2 304.495569 scatter 0 fraction 1 (gauss) phi1 46.626579 Phi 52.447846 Phi2 304.495569
[Grain057] [Grain057]
(gauss) phi1 255.251821 Phi 86.678048 Phi2 238.982712 scatter 0 fraction 1 (gauss) phi1 255.251821 Phi 86.678048 Phi2 238.982712
[Grain058] [Grain058]
(gauss) phi1 324.266133 Phi 28.075458 Phi2 41.191295 scatter 0 fraction 1 (gauss) phi1 324.266133 Phi 28.075458 Phi2 41.191295
[Grain059] [Grain059]
(gauss) phi1 312.000332 Phi 74.648725 Phi2 87.403581 scatter 0 fraction 1 (gauss) phi1 312.000332 Phi 74.648725 Phi2 87.403581
[Grain060] [Grain060]
(gauss) phi1 57.742481 Phi 163.241519 Phi2 68.491438 scatter 0 fraction 1 (gauss) phi1 57.742481 Phi 163.241519 Phi2 68.491438
[Grain061] [Grain061]
(gauss) phi1 112.442447 Phi 51.735320 Phi2 206.538656 scatter 0 fraction 1 (gauss) phi1 112.442447 Phi 51.735320 Phi2 206.538656
[Grain062] [Grain062]
(gauss) phi1 297.453842 Phi 115.283041 Phi2 57.785319 scatter 0 fraction 1 (gauss) phi1 297.453842 Phi 115.283041 Phi2 57.785319
[Grain063] [Grain063]
(gauss) phi1 119.132681 Phi 117.923565 Phi2 196.121206 scatter 0 fraction 1 (gauss) phi1 119.132681 Phi 117.923565 Phi2 196.121206
[Grain064] [Grain064]
(gauss) phi1 199.267314 Phi 163.091476 Phi2 53.549301 scatter 0 fraction 1 (gauss) phi1 199.267314 Phi 163.091476 Phi2 53.549301
[Grain065] [Grain065]
(gauss) phi1 37.765215 Phi 76.795488 Phi2 146.264753 scatter 0 fraction 1 (gauss) phi1 37.765215 Phi 76.795488 Phi2 146.264753
[Grain066] [Grain066]
(gauss) phi1 324.550183 Phi 27.665150 Phi2 56.383148 scatter 0 fraction 1 (gauss) phi1 324.550183 Phi 27.665150 Phi2 56.383148
[Grain067] [Grain067]
(gauss) phi1 337.305377 Phi 136.807151 Phi2 133.661586 scatter 0 fraction 1 (gauss) phi1 337.305377 Phi 136.807151 Phi2 133.661586
[Grain068] [Grain068]
(gauss) phi1 115.744041 Phi 64.536978 Phi2 262.694800 scatter 0 fraction 1 (gauss) phi1 115.744041 Phi 64.536978 Phi2 262.694800
[Grain069] [Grain069]
(gauss) phi1 136.293403 Phi 48.862462 Phi2 343.319175 scatter 0 fraction 1 (gauss) phi1 136.293403 Phi 48.862462 Phi2 343.319175
[Grain070] [Grain070]
(gauss) phi1 111.030931 Phi 80.823213 Phi2 84.041594 scatter 0 fraction 1 (gauss) phi1 111.030931 Phi 80.823213 Phi2 84.041594
[Grain071] [Grain071]
(gauss) phi1 303.985249 Phi 118.929631 Phi2 302.307709 scatter 0 fraction 1 (gauss) phi1 303.985249 Phi 118.929631 Phi2 302.307709
[Grain072] [Grain072]
(gauss) phi1 193.556259 Phi 75.928015 Phi2 176.696899 scatter 0 fraction 1 (gauss) phi1 193.556259 Phi 75.928015 Phi2 176.696899
[Grain073] [Grain073]
(gauss) phi1 102.543259 Phi 121.929923 Phi2 234.496773 scatter 0 fraction 1 (gauss) phi1 102.543259 Phi 121.929923 Phi2 234.496773
[Grain074] [Grain074]
(gauss) phi1 218.581323 Phi 101.753894 Phi2 305.566089 scatter 0 fraction 1 (gauss) phi1 218.581323 Phi 101.753894 Phi2 305.566089
[Grain075] [Grain075]
(gauss) phi1 229.542114 Phi 118.839215 Phi2 129.179156 scatter 0 fraction 1 (gauss) phi1 229.542114 Phi 118.839215 Phi2 129.179156
[Grain076] [Grain076]
(gauss) phi1 202.258840 Phi 139.205956 Phi2 352.248979 scatter 0 fraction 1 (gauss) phi1 202.258840 Phi 139.205956 Phi2 352.248979
[Grain077] [Grain077]
(gauss) phi1 137.954289 Phi 63.806918 Phi2 128.975049 scatter 0 fraction 1 (gauss) phi1 137.954289 Phi 63.806918 Phi2 128.975049
[Grain078] [Grain078]
(gauss) phi1 327.557366 Phi 84.987420 Phi2 345.483143 scatter 0 fraction 1 (gauss) phi1 327.557366 Phi 84.987420 Phi2 345.483143
[Grain079] [Grain079]
(gauss) phi1 334.610243 Phi 74.535474 Phi2 106.419231 scatter 0 fraction 1 (gauss) phi1 334.610243 Phi 74.535474 Phi2 106.419231
[Grain080] [Grain080]
(gauss) phi1 62.906243 Phi 46.752029 Phi2 222.692276 scatter 0 fraction 1 (gauss) phi1 62.906243 Phi 46.752029 Phi2 222.692276
[Grain081] [Grain081]
(gauss) phi1 254.121439 Phi 121.005485 Phi2 287.265977 scatter 0 fraction 1 (gauss) phi1 254.121439 Phi 121.005485 Phi2 287.265977
[Grain082] [Grain082]
(gauss) phi1 140.765045 Phi 141.268031 Phi2 271.327656 scatter 0 fraction 1 (gauss) phi1 140.765045 Phi 141.268031 Phi2 271.327656
[Grain083] [Grain083]
(gauss) phi1 10.726984 Phi 66.339177 Phi2 189.073212 scatter 0 fraction 1 (gauss) phi1 10.726984 Phi 66.339177 Phi2 189.073212
[Grain084] [Grain084]
(gauss) phi1 270.921536 Phi 72.821127 Phi2 313.590515 scatter 0 fraction 1 (gauss) phi1 270.921536 Phi 72.821127 Phi2 313.590515
[Grain085] [Grain085]
(gauss) phi1 299.059668 Phi 23.884874 Phi2 80.016277 scatter 0 fraction 1 (gauss) phi1 299.059668 Phi 23.884874 Phi2 80.016277
[Grain086] [Grain086]
(gauss) phi1 208.617406 Phi 11.031834 Phi2 302.388247 scatter 0 fraction 1 (gauss) phi1 208.617406 Phi 11.031834 Phi2 302.388247
[Grain087] [Grain087]
(gauss) phi1 62.929967 Phi 65.223261 Phi2 108.558265 scatter 0 fraction 1 (gauss) phi1 62.929967 Phi 65.223261 Phi2 108.558265
[Grain088] [Grain088]
(gauss) phi1 9.014959 Phi 33.542169 Phi2 247.970366 scatter 0 fraction 1 (gauss) phi1 9.014959 Phi 33.542169 Phi2 247.970366
[Grain089] [Grain089]
(gauss) phi1 272.432808 Phi 30.065174 Phi2 19.803570 scatter 0 fraction 1 (gauss) phi1 272.432808 Phi 30.065174 Phi2 19.803570
[Grain090] [Grain090]
(gauss) phi1 179.621980 Phi 151.763475 Phi2 61.871794 scatter 0 fraction 1 (gauss) phi1 179.621980 Phi 151.763475 Phi2 61.871794
[Grain091] [Grain091]
(gauss) phi1 247.810321 Phi 112.752980 Phi2 264.668469 scatter 0 fraction 1 (gauss) phi1 247.810321 Phi 112.752980 Phi2 264.668469
[Grain092] [Grain092]
(gauss) phi1 270.780630 Phi 102.037858 Phi2 31.602610 scatter 0 fraction 1 (gauss) phi1 270.780630 Phi 102.037858 Phi2 31.602610
[Grain093] [Grain093]
(gauss) phi1 17.626672 Phi 56.032415 Phi2 245.079600 scatter 0 fraction 1 (gauss) phi1 17.626672 Phi 56.032415 Phi2 245.079600
[Grain094] [Grain094]
(gauss) phi1 112.165186 Phi 87.390459 Phi2 182.086729 scatter 0 fraction 1 (gauss) phi1 112.165186 Phi 87.390459 Phi2 182.086729
[Grain095] [Grain095]
(gauss) phi1 157.869381 Phi 79.905131 Phi2 107.037081 scatter 0 fraction 1 (gauss) phi1 157.869381 Phi 79.905131 Phi2 107.037081
[Grain096] [Grain096]
(gauss) phi1 106.163846 Phi 148.477084 Phi2 350.980466 scatter 0 fraction 1 (gauss) phi1 106.163846 Phi 148.477084 Phi2 350.980466
[Grain097] [Grain097]
(gauss) phi1 262.138550 Phi 58.923588 Phi2 111.303439 scatter 0 fraction 1 (gauss) phi1 262.138550 Phi 58.923588 Phi2 111.303439
[Grain098] [Grain098]
(gauss) phi1 88.739397 Phi 119.092789 Phi2 222.502594 scatter 0 fraction 1 (gauss) phi1 88.739397 Phi 119.092789 Phi2 222.502594
[Grain099] [Grain099]
(gauss) phi1 337.603765 Phi 10.145102 Phi2 80.934916 scatter 0 fraction 1 (gauss) phi1 337.603765 Phi 10.145102 Phi2 80.934916
[Grain100] [Grain100]
(gauss) phi1 341.022242 Phi 45.927285 Phi2 252.045476 scatter 0 fraction 1 (gauss) phi1 341.022242 Phi 45.927285 Phi2 252.045476
[cube] [cube]
(gauss) phi1 0 Phi 0 phi2 0 scatter 0 fraction 1 (gauss) phi1 0 Phi 0 phi2 0
#-------------------#
<crystallite>
#-------------------#
{../ConfigFiles/Crystallite_All.config}
#-------------------# #-------------------#
<phase> <phase>

94
examples/MSC.Marc/reference_postProc/rotation_90deg.txt
View File

@ -1,94 +0,0 @@
2 header
$Id: postResults 861 2011-05-06 10:00:27Z MPIE\c.kords $
inc time elem node ip grain ip.x ip.y ip.z CauchyStress.intensity CauchyStress.t11 CauchyStress.t22 CauchyStress.t33 CauchyStress.t12 CauchyStress.t23 CauchyStress.t13 1_1_f 1_2_f 1_3_f 1_4_f 1_5_f 1_6_f 1_7_f 1_8_f 1_9_f 1_1_grainrotation 1_2_grainrotation 1_3_grainrotation 1_4_grainrotation 1_1_resistance_slip 1_2_resistance_slip 1_3_resistance_slip 1_4_resistance_slip 1_5_resistance_slip 1_6_resistance_slip 1_7_resistance_slip 1_8_resistance_slip 1_9_resistance_slip 1_10_resistance_slip 1_11_resistance_slip 1_12_resistance_slip
0 0.0 1 5 1 1 0.5 0.5 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
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5 5.0 1 5 1 1 0.5 0.5 0.5 0.032148640163 -0.0124530605972 -0.0368128865957 -0.0341981202364 0.00650494545698 0.00810338370502 0.00759505899623 1.0 1.04684232745e-13 1.04684253074e-13 1.34370257434e-13 0.996194720268 -0.0871557444334 1.54588120733e-13 0.0871557444334 0.996194720268 1.0 -2.8629133569e-13 1.70304512138e-13 5.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
6 6.0 1 5 1 1 0.5 0.5 0.5 0.0360145416329 -0.027449907735 -0.0575108379126 -0.0543776340783 0.00626290449873 0.00791467912495 0.0075753852725 1.0 1.02893266281e-13 1.0289328661e-13 1.29417364412e-13 0.994521915913 -0.104528464377 1.54218746606e-13 0.104528464377 0.994521915913 1.0 -2.45509477548e-13 1.26874964528e-13 6.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
7 7.0 1 5 1 1 0.5 0.5 0.5 0.0399740663918 -0.0415176264942 -0.0769297853112 -0.0733039304614 0.00602708896622 0.00772315822542 0.00755509966984 1.0 1.01173003352e-13 1.01173016904e-13 1.24581768512e-13 0.992546141148 -0.121869340539 1.5383908611e-13 0.121869340539 0.992546141148 1.0 -2.1607593644e-13 9.60403970436e-14 7.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
8 8.0 1 5 1 1 0.5 0.5 0.5 0.0438656010832 -0.0547002702951 -0.0950862541795 -0.0910048484802 0.00579795939848 0.0075320713222 0.00753418169916 1.0 9.95214110774e-14 9.952142463e-14 1.19883541028e-13 0.990268051624 -0.139173105359 1.5344615769e-13 0.139173105359 0.990268051624 1.0 -1.93732616754e-13 7.31539937134e-14 8.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
9 9.0 1 5 1 1 0.5 0.5 0.5 0.0476265064906 -0.06693007797 -0.111963532865 -0.107425913215 0.00557443965226 0.00733647309244 0.00751292472705 1.0 9.79365107892e-14 9.79365175654e-14 1.15288543144e-13 0.987688362598 -0.156434461474 1.53048269045e-13 0.156434461474 0.987688362598 1.0 -1.7614966289e-13 5.54610577028e-14 9.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
10 10.0 1 5 1 1 0.5 0.5 0.5 0.0511619284052 -0.0781974568963 -0.127493560314 -0.122531078756 0.00535882124677 0.00714056473225 0.00749061629176 1.0 9.64163509231e-14 9.64163509231e-14 1.10881335851e-13 0.984807729721 -0.173648178577 1.52618409989e-13 0.173648178577 0.984807729721 1.0 -1.61827379296e-13 4.16502735892e-14 10.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
11 11.0 1 5 1 1 0.5 0.5 0.5 0.0544590124719 -0.088471762836 -0.141687169671 -0.136302277446 0.0051483400166 0.00694213900715 0.00746928341687 1.0 9.49590273492e-14 9.49590341255e-14 1.06568040796e-13 0.981627166271 -0.190808996558 1.52226335378e-13 0.190808996558 0.981627166271 1.0 -1.50064490456e-13 3.04205106743e-14 11.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
12 12.0 1 5 1 1 0.5 0.5 0.5 0.0574517639017 -0.0978478044271 -0.154580652714 -0.148810505867 0.00494291307405 0.00674560666084 0.00744635425508 1.0 9.35626969238e-14 9.35626969238e-14 1.02349369485e-13 0.978147625923 -0.207911685109 1.51779779608e-13 0.207911685109 0.978147625923 1.0 -1.40004354681e-13 2.11307767752e-14 12.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
13 13.0 1 5 1 1 0.5 0.5 0.5 0.0601600304963 -0.10622742027 -0.166131272912 -0.159981891513 0.0047429674305 0.00654464075342 0.00742361694574 1.0 9.22255571608e-14 9.22255503845e-14 9.82438888813e-14 0.974370062351 -0.224951043725 1.5134031181e-13 0.224951043725 0.974370062351 1.0 -1.31394718782e-13 1.33769905892e-14 13.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
14 14.0 1 5 1 1 0.5 0.5 0.5 0.0625560237246 -0.113614186645 -0.176321923733 -0.169804736972 0.00454916572198 0.00634495634586 0.00740135088563 1.0 9.09458597841e-14 9.09458530078e-14 9.42784397643e-14 0.970295727253 -0.241921886802 1.50916524286e-13 0.241921886802 0.970295727253 1.0 -1.23946358277e-13 6.88772167895e-15 14.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
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16 16.0 1 5 1 1 0.5 0.5 0.5 0.0663746195376 -0.125523671508 -0.192728817463 -0.185538485646 0.00417540827766 0.00594279170036 0.00735600618646 1.0 8.85521107938e-14 8.85521040175e-14 8.66191951607e-14 0.961261689663 -0.275637358427 1.50032669123e-13 0.275637358427 0.961261689663 1.0 -1.11524369384e-13 -3.50626472131e-15 16.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
17 17.0 1 5 1 1 0.5 0.5 0.5 0.0677872073143 -0.130049750209 -0.198957800865 -0.191445931792 0.00399514567107 0.00573630817235 0.00733454944566 1.0 8.74348675601e-14 8.74348607838e-14 8.29210628655e-14 0.956304728985 -0.292371690273 1.49627706059e-13 0.292371690273 0.956304728985 1.0 -1.06359209905e-13 -7.7192983925e-15 17.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
18 18.0 1 5 1 1 0.5 0.5 0.5 0.0688726440667 -0.13366368413 -0.20391356945 -0.196102648973 0.00382082024589 0.00553295295686 0.00731354439631 1.0 8.63686902487e-14 8.63686766962e-14 7.93686337898e-14 0.951056540012 -0.309017002583 1.49233476596e-13 0.309017002583 0.951056540012 1.0 -1.01717394815e-13 -1.1326327212e-14 18.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
19 19.0 1 5 1 1 0.5 0.5 0.5 0.0696297180331 -0.136321663857 -0.207558274269 -0.199463963509 0.00364940264262 0.00533262779936 0.00729088904336 1.0 8.53521355156e-14 8.53521151868e-14 7.58580481416e-14 0.945518553257 -0.325568139553 1.48775008155e-13 0.325568139553 0.945518553257 1.0 -9.7403408581e-14 -1.45807929668e-14 19.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
20 20.0 1 5 1 1 0.5 0.5 0.5 0.0700644066665 -0.138097688556 -0.209973961115 -0.201613843441 0.00348059250973 0.00512766698375 0.00727100577205 1.0 8.43838074503e-14 8.43837938977e-14 7.23816555195e-14 0.939692616463 -0.342020124197 1.48407572039e-13 0.342020124197 0.939692616463 1.0 -9.35965172554e-14 -1.75459757942e-14 20.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
21 21.0 1 5 1 1 0.5 0.5 0.5 0.0701877711751 -0.138971403241 -0.211157605052 -0.20253777504 0.00331580708735 0.00492311827838 0.00725055858493 1.0 8.34624050102e-14 8.34623846814e-14 6.89923311081e-14 0.933580458164 -0.358367949724 1.4801277337e-13 0.358367949724 0.933580458164 1.0 -9.0061604821e-14 -2.01888507268e-14 21.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
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23 23.0 1 5 1 1 0.5 0.5 0.5 0.0694881714825 -0.138143435121 -0.209938883781 -0.200845211744 0.00299837184139 0.00451778201386 0.00721126794815 1.0 8.17553761235e-14 8.17553490184e-14 6.24881345127e-14 0.920504868031 -0.39073112607 1.47254902499e-13 0.39073112607 0.920504868031 1.0 -8.38166477413e-14 -2.46553706542e-14 23.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
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25 25.0 1 5 1 1 0.5 0.5 0.5 0.0676169983635 -0.13403198123 -0.204196736217 -0.194667950273 0.00269203982316 0.00410861568525 0.00717331608757 1.0 8.02216705066e-14 8.02216434015e-14 5.61884252234e-14 0.906307816505 -0.422618240118 1.46507656809e-13 0.422618240118 0.906307816505 1.0 -7.84230400888e-14 -2.84337508508e-14 25.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
26 26.0 1 5 1 1 0.5 0.5 0.5 0.0662631331079 -0.130787238479 -0.199683398008 -0.189970225096 0.00254649785347 0.00390863511711 0.00715752178803 1.0 7.95171491586e-14 7.95171220536e-14 5.32437219585e-14 0.898794054985 -0.438371151686 1.46231442753e-13 0.438371151686 0.898794054985 1.0 -7.6093421657e-14 -2.99671074901e-14 26.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
27 27.0 1 5 1 1 0.5 0.5 0.5 0.0646436064666 -0.126818150282 -0.194168791175 -0.184269443154 0.00239934097044 0.00370743637905 0.00713936518878 1.0 7.88528788163e-14 7.8852844935e-14 5.02027178238e-14 0.891006529331 -0.453990489244 1.45861472314e-13 0.453990489244 0.891006529331 1.0 -7.37995886732e-14 -3.15536984562e-14 27.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
28 28.0 1 5 1 1 0.5 0.5 0.5 0.0627565607148 -0.122118026018 -0.18763422966 -0.177565723658 0.00225654477254 0.00350114423782 0.00712363282219 1.0 7.82279311316e-14 7.82279040265e-14 4.72786279527e-14 0.88294762373 -0.469471544027 1.45566271168e-13 0.469471544027 0.88294762373 1.0 -7.17171954418e-14 -3.29618534615e-14 28.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
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84 84.0 1 5 1 1 0.5 0.5 0.5 0.0472034591648 0.155100286007 0.195493191481 0.198953047395 -0.00591072347015 -0.00760667771101 0.00744895776734 1.0 9.95214110774e-14 9.95212891047e-14 -1.19991419145e-13 0.104528486729 -0.994521915913 1.53463518477e-13 0.994521915913 0.104528486729 1.0 -2.7119679183e-14 -1.10360986571e-13 84.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
85 85.0 1 5 1 1 0.5 0.5 0.5 0.0431223359335 0.143299892545 0.179094478488 0.182078793645 -0.0061384961009 -0.00779581116512 0.00746519910172 1.0 1.01173003352e-13 1.01172881379e-13 -1.24631763785e-13 0.0871557667851 -0.996194720268 1.53809826204e-13 0.996194720268 0.0871557667851 1.0 -2.64190067528e-14 -1.13333658864e-13 85.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
86 86.0 1 5 1 1 0.5 0.5 0.5 0.0389558933784 0.130603894591 0.161492869258 0.163967981935 -0.00637407042086 -0.00797392893583 0.00748812500387 1.0 1.02893273058e-13 1.02893144309e-13 -1.29449253508e-13 0.069756500423 -0.997564077377 1.54404497543e-13 0.997564077377 0.069756500423 1.0 -2.58185688134e-14 -1.16454941393e-13 86.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
87 87.0 1 5 1 1 0.5 0.5 0.5 0.0348200893229 0.117140188813 0.142814710736 0.144770666957 -0.00661494443193 -0.00814818497747 0.0075002736412 1.0 1.04684239521e-13 1.04684103996e-13 -1.34351825997e-13 0.0523359812796 -0.998629510403 1.5463373854e-13 0.998629510403 0.0523359812796 1.0 -2.50090916129e-14 -1.19682055607e-13 87.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
88 88.0 1 5 1 1 0.5 0.5 0.5 0.0309165569603 0.102922193706 0.123093500733 0.124490439892 -0.00686429999769 -0.0083291567862 0.00751314265653 1.0 1.06547935622e-13 1.06547800097e-13 -1.39447996336e-13 0.0348995216191 -0.99939084053 1.54905873285e-13 0.99939084053 0.0348995216191 1.0 -2.41937732733e-14 -1.23072938559e-13 88.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
89 89.0 1 5 1 1 0.5 0.5 0.5 0.0275482477894 0.0879731550813 0.102374792099 0.103184834123 -0.00712391687557 -0.00850248057395 0.00752882473171 1.0 1.08486421344e-13 1.08486279042e-13 -1.44796799334e-13 0.0174524337053 -0.999847710133 1.55297460004e-13 0.999847710133 0.0174524337053 1.0 -2.34091547958e-14 -1.26660902361e-13 89.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
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3
examples/MSC.Marc/reference_postProc/rotation_90deg_inc90.txt
View File

@ -1,3 +0,0 @@
1 header
inc elem node ip grain ip.x ip.y ip.z 1_1_p 1_2_p 1_3_p 1_4_p 1_5_p 1_6_p 1_7_p 1_8_p 1_9_p 1_1_div(p) 1_2_div(p) 1_3_div(p) 1_norm(div(p))
90 1 5 1 1 0.5 0.5 0.5 0.0723270624876 0.00754283322021 0.00738708395511 -0.00738708348945 -0.00866825319827 -0.0806358680129 0.00754283368587 0.0808931067586 0.00866825692356 0.000000 0.000000 0.000000 0.000000

57
examples/SpectralMethod/EshelbyInclusion/material.config
View File

@ -3,25 +3,12 @@
#-------------------# #-------------------#
[direct] [direct]
mech none # isostrain 1 grain mech none
thermal adiabatic # thermal strain (stress) induced mass transport thermal adiabatic
t0 330.0 t0 330.0
(output) temperature (output) temperature
#-------------------#
<crystallite>
#-------------------#
[aLittleSomething]
(output) texture
(output) f
(output) p
(output) fe
(output) fi
(output) fp
#-------------------# #-------------------#
<phase> <phase>
#-------------------# #-------------------#
@ -34,6 +21,12 @@ plasticity none
{config/elastic_isotropic.config} {config/elastic_isotropic.config}
{config/thermal.config} {config/thermal.config}
(output) f
(output) p
(output) fe
(output) fi
(output) fp
#................. #.................
[Ti matrix] [Ti matrix]
@ -43,6 +36,12 @@ plasticity none
{config/elastic_Ti.config} {config/elastic_Ti.config}
{config/thermal.config} {config/thermal.config}
(output) f
(output) p
(output) fe
(output) fi
(output) fp
#................. #.................
[isotropic inclusion] [isotropic inclusion]
@ -52,6 +51,12 @@ plasticity none
{config/thermal.config} {config/thermal.config}
{config/thermalExpansion_isotropic.config} {config/thermalExpansion_isotropic.config}
(output) f
(output) p
(output) fe
(output) fi
(output) fp
#................. #.................
[anisotropic inclusion] [anisotropic inclusion]
@ -61,6 +66,12 @@ plasticity none
{config/thermal.config} {config/thermal.config}
{config/thermalExpansion_fullyAnisotropic.config} {config/thermalExpansion_fullyAnisotropic.config}
(output) f
(output) p
(output) fe
(output) fi
(output) fp
#................. #.................
[Ti inclusion] [Ti inclusion]
@ -71,32 +82,32 @@ plasticity none
{config/thermal.config} {config/thermal.config}
{config/thermalExpansion_Ti.config} {config/thermalExpansion_Ti.config}
(output) f
(output) p
(output) fe
(output) fi
(output) fp
#--------------------------# #--------------------------#
<microstructure> <microstructure>
#--------------------------# #--------------------------#
[isotropic matrix] [isotropic matrix]
crystallite 1
(constituent) phase 1 texture 1 fraction 1.0 (constituent) phase 1 texture 1 fraction 1.0
[Ti matrix] [Ti matrix]
crystallite 1
(constituent) phase 2 texture 1 fraction 1.0 (constituent) phase 2 texture 1 fraction 1.0
[isotropic inclusion] [isotropic inclusion]
crystallite 1
(constituent) phase 3 texture 1 fraction 1.0 (constituent) phase 3 texture 1 fraction 1.0
[anisotropic inclusion] [anisotropic inclusion]
crystallite 1
(constituent) phase 4 texture 1 fraction 1.0 (constituent) phase 4 texture 1 fraction 1.0
[rotated inclusion] [rotated inclusion]
crystallite 1
(constituent) phase 4 texture 2 fraction 1.0 (constituent) phase 4 texture 2 fraction 1.0
[Ti inclusion] [Ti inclusion]
crystallite 1
(constituent) phase 5 texture 1 fraction 1.0 (constituent) phase 5 texture 1 fraction 1.0
#--------------------------# #--------------------------#
@ -104,8 +115,8 @@ crystallite 1
#--------------------------# #--------------------------#
[cube] [cube]
(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0 (gauss) phi1 0.0 Phi 0.0 phi2 0.0
[rotated] [rotated]
(gauss) phi1 0.0 Phi 45.0 phi2 0.0 scatter 0.0 fraction 1.0 (gauss) phi1 0.0 Phi 45.0 phi2 0.0

54
examples/SpectralMethod/EshelbyInclusion/runAll.sh
View File

@ -1,54 +0,0 @@
#!/usr/bin/env bash
for geom in $(ls geom/*.geom)
do
base=${geom%.geom}
base=${base#geom/}
name=${base}_thermal
vtr=${base}.vtr
[[ -f ${name}.spectralOut ]] || \
DAMASK_spectral \
--workingdir ./ \
--load thermal.load \
--geom $geom \
> ${name}.out
if [ ! -f postProc/${name}_inc10.txt ]
then
postResults ${name}.spectralOut \
--ho temperature \
--cr f,fe,fi,fp,p \
--split \
--separation x,y,z \
addCauchy postProc/${name}_inc*.txt \
addDeviator postProc/${name}_inc*.txt \
--spherical \
--tensor p,Cauchy \
addDisplacement postProc/${name}_inc*.txt \
--nodal \
fi
geom_check ${geom}
for inc in {00..10}
do
echo "generating postProc/${name}_inc${inc}.vtr"
cp geom/${vtr} postProc/${name}_inc${inc}.vtr
vtk_addRectilinearGridData \
postProc/${name}_inc${inc}.txt \
--vtk postProc/${name}_inc${inc}.vtr \
--data 'sph(p)','sph(Cauchy)',temperature \
--tensor f,fe,fi,fp,p,Cauchy \
vtk_addRectilinearGridData \
postProc/${name}_inc${inc}_nodal.txt \
--vtk postProc/${name}_inc${inc}.vtr \
--data 'avg(f).pos','fluct(f).pos' \
done
done

60
examples/SpectralMethod/Polycrystal/material.config
View File

@ -51,64 +51,44 @@ atol_resistance 1
<microstructure> <microstructure>
#-------------------# #-------------------#
[Grain01] [Grain01]
crystallite 1
(constituent) phase 1 texture 01 fraction 1.0 (constituent) phase 1 texture 01 fraction 1.0
[Grain02] [Grain02]
crystallite 1
(constituent) phase 1 texture 02 fraction 1.0 (constituent) phase 1 texture 02 fraction 1.0
[Grain03] [Grain03]
crystallite 1
(constituent) phase 1 texture 03 fraction 1.0 (constituent) phase 1 texture 03 fraction 1.0
[Grain04] [Grain04]
crystallite 1
(constituent) phase 1 texture 04 fraction 1.0 (constituent) phase 1 texture 04 fraction 1.0
[Grain05] [Grain05]
crystallite 1
(constituent) phase 1 texture 05 fraction 1.0 (constituent) phase 1 texture 05 fraction 1.0
[Grain06] [Grain06]
crystallite 1
(constituent) phase 1 texture 06 fraction 1.0 (constituent) phase 1 texture 06 fraction 1.0
[Grain07] [Grain07]
crystallite 1
(constituent) phase 1 texture 07 fraction 1.0 (constituent) phase 1 texture 07 fraction 1.0
[Grain08] [Grain08]
crystallite 1
(constituent) phase 1 texture 08 fraction 1.0 (constituent) phase 1 texture 08 fraction 1.0
[Grain09] [Grain09]
crystallite 1
(constituent) phase 1 texture 09 fraction 1.0 (constituent) phase 1 texture 09 fraction 1.0
[Grain10] [Grain10]
crystallite 1
(constituent) phase 1 texture 10 fraction 1.0 (constituent) phase 1 texture 10 fraction 1.0
[Grain11] [Grain11]
crystallite 1
(constituent) phase 1 texture 11 fraction 1.0 (constituent) phase 1 texture 11 fraction 1.0
[Grain12] [Grain12]
crystallite 1
(constituent) phase 1 texture 12 fraction 1.0 (constituent) phase 1 texture 12 fraction 1.0
[Grain13] [Grain13]
crystallite 1
(constituent) phase 1 texture 13 fraction 1.0 (constituent) phase 1 texture 13 fraction 1.0
[Grain14] [Grain14]
crystallite 1
(constituent) phase 1 texture 14 fraction 1.0 (constituent) phase 1 texture 14 fraction 1.0
[Grain15] [Grain15]
crystallite 1
(constituent) phase 1 texture 15 fraction 1.0 (constituent) phase 1 texture 15 fraction 1.0
[Grain16] [Grain16]
crystallite 1
(constituent) phase 1 texture 16 fraction 1.0 (constituent) phase 1 texture 16 fraction 1.0
[Grain17] [Grain17]
crystallite 1
(constituent) phase 1 texture 17 fraction 1.0 (constituent) phase 1 texture 17 fraction 1.0
[Grain18] [Grain18]
crystallite 1
(constituent) phase 1 texture 18 fraction 1.0 (constituent) phase 1 texture 18 fraction 1.0
[Grain19] [Grain19]
crystallite 1
(constituent) phase 1 texture 19 fraction 1.0 (constituent) phase 1 texture 19 fraction 1.0
[Grain20] [Grain20]
crystallite 1
(constituent) phase 1 texture 20 fraction 1.0 (constituent) phase 1 texture 20 fraction 1.0
@ -116,42 +96,42 @@ crystallite 1
<texture> <texture>
#-------------------# #-------------------#
[Grain01] [Grain01]
(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0 (gauss) phi1 0.0 Phi 0.0 phi2 0.0
[Grain02] [Grain02]
(gauss) phi1 257.468172 Phi 53.250534 phi2 157.331503 scatter 0.0 fraction 1.0 (gauss) phi1 257.468172 Phi 53.250534 phi2 157.331503
[Grain03] [Grain03]
(gauss) phi1 216.994815 Phi 94.418518 phi2 251.147231 scatter 0.0 fraction 1.0 (gauss) phi1 216.994815 Phi 94.418518 phi2 251.147231
[Grain04] [Grain04]
(gauss) phi1 196.157946 Phi 55.870978 phi2 21.68117 scatter 0.0 fraction 1.0 (gauss) phi1 196.157946 Phi 55.870978 phi2 21.68117
[Grain05] [Grain05]
(gauss) phi1 152.515728 Phi 139.769395 phi2 240.036018 scatter 0.0 fraction 1.0 (gauss) phi1 152.515728 Phi 139.769395 phi2 240.036018
[Grain06] [Grain06]
(gauss) phi1 232.521881 Phi 73.749222 phi2 241.429633 scatter 0.0 fraction 1.0 (gauss) phi1 232.521881 Phi 73.749222 phi2 241.429633
[Grain07] [Grain07]
(gauss) phi1 157.531396 Phi 135.503513 phi2 75.737722 scatter 0.0 fraction 1.0 (gauss) phi1 157.531396 Phi 135.503513 phi2 75.737722
[Grain08] [Grain08]
(gauss) phi1 321.03828 Phi 27.209843 phi2 46.413467 scatter 0.0 fraction 1.0 (gauss) phi1 321.03828 Phi 27.209843 phi2 46.413467
[Grain09] [Grain09]
(gauss) phi1 346.918594 Phi 87.495569 phi2 113.554206 scatter 0.0 fraction 1.0 (gauss) phi1 346.918594 Phi 87.495569 phi2 113.554206
[Grain10] [Grain10]
(gauss) phi1 138.038947 Phi 99.827132 phi2 130.935878 scatter 0.0 fraction 1.0 (gauss) phi1 138.038947 Phi 99.827132 phi2 130.935878
[Grain11] [Grain11]
(gauss) phi1 285.021014 Phi 118.092004 phi2 205.270837 scatter 0.0 fraction 1.0 (gauss) phi1 285.021014 Phi 118.092004 phi2 205.270837
[Grain12] [Grain12]
(gauss) phi1 190.402171 Phi 56.738068 phi2 157.896545 scatter 0.0 fraction 1.0 (gauss) phi1 190.402171 Phi 56.738068 phi2 157.896545
[Grain13] [Grain13]
(gauss) phi1 204.496042 Phi 95.031265 phi2 355.814582 scatter 0.0 fraction 1.0 (gauss) phi1 204.496042 Phi 95.031265 phi2 355.814582
[Grain14] [Grain14]
(gauss) phi1 333.21479 Phi 82.133355 phi2 36.736132 scatter 0.0 fraction 1.0 (gauss) phi1 333.21479 Phi 82.133355 phi2 36.736132
[Grain15] [Grain15]
(gauss) phi1 25.572981 Phi 164.242648 phi2 75.195632 scatter 0.0 fraction 1.0 (gauss) phi1 25.572981 Phi 164.242648 phi2 75.195632
[Grain16] [Grain16]
(gauss) phi1 31.366548 Phi 76.392403 phi2 58.071426 scatter 0.0 fraction 1.0 (gauss) phi1 31.366548 Phi 76.392403 phi2 58.071426
[Grain17] [Grain17]
(gauss) phi1 7.278623 Phi 77.044663 phi2 235.118997 scatter 0.0 fraction 1.0 (gauss) phi1 7.278623 Phi 77.044663 phi2 235.118997
[Grain18] [Grain18]
(gauss) phi1 299.743144 Phi 76.475096 phi2 91.184977 scatter 0.0 fraction 1.0 (gauss) phi1 299.743144 Phi 76.475096 phi2 91.184977
[Grain19] [Grain19]
(gauss) phi1 280.13643 Phi 27.439718 phi2 167.871878 scatter 0.0 fraction 1.0 (gauss) phi1 280.13643 Phi 27.439718 phi2 167.871878
[Grain20] [Grain20]
(gauss) phi1 313.204373 Phi 68.676053 phi2 87.993213 scatter 0.0 fraction 1.0 (gauss) phi1 313.204373 Phi 68.676053 phi2 87.993213

8
installation/patch/README.md
View File

@ -9,14 +9,6 @@ cd DAMASK_ROOT
patch -p1 < installation/patch/nameOfPatch patch -p1 < installation/patch/nameOfPatch
``` ```
## Available patches
* **disable_HDF5** disables all HDF5 output.
HDF5 output is an experimental feature. Also, some routines not present in HDF5 1.8.x are removed to allow compilation of DAMASK with HDF5 < 1.10.x
* **disable_old_output** disables all non-HDF5 output.
Saves some memory when using only HDF5 output
## Create patch ## Create patch
commit your changes commit your changes

57
installation/patch/disable_HDF5
View File

@ -1,57 +0,0 @@
diff --git a/src/DAMASK_grid.f90 b/src/DAMASK_grid.f90
index 496bfd0d..7b0f499c 100644
--- a/src/DAMASK_grid.f90
+++ b/src/DAMASK_grid.f90
@@ -75,7 +75,6 @@ program DAMASK_spectral
use grid_mech_spectral_polarisation
use grid_damage_spectral
use grid_thermal_spectral
- use results
implicit none
@@ -153,8 +152,6 @@ program DAMASK_spectral
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
- call results_openJobFile()
- call results_closeJobFile()
!--------------------------------------------------------------------------------------------------
! initialize field solver information
nActiveFields = 1
@@ -595,7 +592,6 @@ program DAMASK_spectral
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
enddo
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
- call CPFEM_results(totalIncsCounter,time)
endif
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
diff --git a/src/HDF5_utilities.f90 b/src/HDF5_utilities.f90
index a81aaee0..3d3cdee3 100644
--- a/src/HDF5_utilities.f90
+++ b/src/HDF5_utilities.f90
@@ -197,7 +197,6 @@ integer(HID_T) function HDF5_addGroup(fileHandle,groupName)
!-------------------------------------------------------------------------------------------------
! setting I/O mode to collective
#ifdef PETSc
- call h5pset_all_coll_metadata_ops_f(aplist_id, .true., hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_addGroup: h5pset_all_coll_metadata_ops_f ('//trim(groupName)//')')
#endif
@@ -232,7 +231,6 @@ integer(HID_T) function HDF5_openGroup(fileHandle,groupName)
!-------------------------------------------------------------------------------------------------
! setting I/O mode to collective
#ifdef PETSc
- call h5pget_all_coll_metadata_ops_f(aplist_id, is_collective, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_openGroup: h5pset_all_coll_metadata_ops_f ('//trim(groupName)//')')
#endif
@@ -1646,7 +1644,6 @@ subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_
call h5pcreate_f(H5P_DATASET_ACCESS_F, aplist_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='initialize_read: h5pcreate_f')
#ifdef PETSc
- call h5pset_all_coll_metadata_ops_f(aplist_id, .true., hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='initialize_read: h5pset_all_coll_metadata_ops_f')
#endif

178
installation/patch/disable_old_output
View File

@ -1,178 +0,0 @@
From 6dbd904a4cfc28add3c39bb2a4ec9e2dbb2442b6 Mon Sep 17 00:00:00 2001
From: Martin Diehl <m.diehl@mpie.de>
Date: Thu, 18 Apr 2019 18:25:32 +0200
Subject: [PATCH] to create patch
---
src/DAMASK_grid.f90 | 81 +-----------------------------------------
src/homogenization.f90 | 2 ++
2 files changed, 3 insertions(+), 80 deletions(-)
diff --git a/src/DAMASK_grid.f90 b/src/DAMASK_grid.f90
index f2f52bb2..a7543f4d 100644
--- a/src/DAMASK_grid.f90
+++ b/src/DAMASK_grid.f90
@@ -18,7 +18,6 @@ program DAMASK_spectral
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
- geometryFile, &
getSolverJobName, &
interface_restartInc
use IO, only: &
@@ -49,14 +48,9 @@ program DAMASK_spectral
restartInc
use numerics, only: &
worldrank, &
- worldsize, &
stagItMax, &
maxCutBack, &
continueCalculation
- use homogenization, only: &
- materialpoint_sizeResults, &
- materialpoint_results, &
- materialpoint_postResults
use material, only: &
thermal_type, &
damage_type, &
@@ -131,12 +125,6 @@ program DAMASK_spectral
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres
- integer(MPI_OFFSET_KIND) :: fileOffset
- integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
- integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
- integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
- integer(pLongInt), dimension(2) :: outputIndex
- PetscErrorCode :: ierr
procedure(grid_mech_spectral_basic_init), pointer :: &
mech_init
procedure(grid_mech_spectral_basic_forward), pointer :: &
@@ -384,22 +372,6 @@ program DAMASK_spectral
! write header of output file
if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1_pInt) then
- open(newunit=fileUnit,file=trim(getSolverJobName())//&
- '.spectralOut',form='UNFORMATTED',status='REPLACE')
- write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header
- write(fileUnit) 'workingdir:', 'n/a'
- write(fileUnit) 'geometry:', trim(geometryFile)
- write(fileUnit) 'grid:', grid
- write(fileUnit) 'size:', geomSize
- write(fileUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
- write(fileUnit) 'loadcases:', size(loadCases)
- write(fileUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
- write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase
- write(fileUnit) 'logscales:', loadCases%logscale
- write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase
- write(fileUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
- write(fileUnit) 'eoh'
- close(fileUnit) ! end of header
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
@@ -412,39 +384,6 @@ program DAMASK_spectral
endif writeHeader
endif
-!--------------------------------------------------------------------------------------------------
-! prepare MPI parallel out (including opening of file)
- allocate(outputSize(worldsize), source = 0_MPI_OFFSET_KIND)
- outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND)
- call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_allreduce')
- call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', &
- MPI_MODE_WRONLY + MPI_MODE_APPEND, &
- MPI_INFO_NULL, &
- fileUnit, &
- ierr)
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_open')
- call MPI_file_get_position(fileUnit,fileOffset,ierr) ! get offset from header
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_get_position')
- fileOffset = fileOffset + sum(outputSize(1:worldrank)) ! offset of my process in file (header + processes before me)
- call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
-
- writeUndeformed: if (interface_restartInc < 1_pInt) then
- write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
- call CPFEM_results(0_pInt,0.0_pReal)
- do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
- outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
- min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
- call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
- [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
- int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), &
- MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
- enddo
- fileOffset = fileOffset + sum(outputSize) ! forward to current file position
- endif writeUndeformed
-
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
time0 = time ! load case start time
@@ -574,7 +513,6 @@ program DAMASK_spectral
write(6,'(/,a)') ' cutting back '
else ! no more options to continue
call IO_warning(850_pInt)
- call MPI_file_close(fileUnit,ierr)
close(statUnit)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
endif
@@ -593,24 +531,8 @@ program DAMASK_spectral
' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
- if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
- write(6,'(1/,a)') ' ... writing results to file ......................................'
- flush(6)
- call materialpoint_postResults()
- call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
- if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
- do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
- outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
- min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
- call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
- [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
- int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),&
- MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
- if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
- enddo
- fileOffset = fileOffset + sum(outputSize) ! forward to current file position
+ if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) & ! at output frequency
call CPFEM_results(totalIncsCounter,time)
- endif
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
restartWrite = .true. ! set restart parameter for FEsolving
@@ -633,7 +555,6 @@ program DAMASK_spectral
real(convergedCounter, pReal)/&
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, ' %) increments converged!'
flush(6)
- call MPI_file_close(fileUnit,ierr)
close(statUnit)
if (notConvergedCounter > 0_pInt) call quit(2_pInt) ! error if some are not converged
diff --git a/src/homogenization.f90 b/src/homogenization.f90
index 06da6ab2..0743d545 100644
--- a/src/homogenization.f90
+++ b/src/homogenization.f90
@@ -269,6 +269,7 @@ subroutine homogenization_init
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
+ constitutive_source_maxSizePostResults)
+ materialpoint_sizeResults = 0
allocate(materialpoint_results(materialpoint_sizeResults,theMesh%elem%nIPs,theMesh%nElems))
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
@@ -682,6 +683,7 @@ subroutine materialpoint_postResults
i, & !< integration point number
e !< element number
+ return
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,thePos,theSize)
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
--
2.21.0

8
installation/patch/python2to3.sh
View File

@ -1,8 +0,0 @@
#! /usr/bin/env bash
if [ $1x != 3to2x ]; then
echo 'python2.7 to python3'
find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python3/g'
else
echo 'python3 to python2.7'
find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python3/usr\/bin\/env python2.7/g'
fi

59
processing/post/addAPS34IDEstrainCoords.py
View File

@ -2,6 +2,7 @@
import os import os
import sys import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
import numpy as np import numpy as np
@ -24,61 +25,33 @@ Transform X,Y,Z,F APS BeamLine 34 coordinates to x,y,z APS strain coordinates.
parser.add_option('-f','--frame',dest='frame', metavar='string', parser.add_option('-f','--frame',dest='frame', metavar='string',
help='label of APS X,Y,Z coords') help='label of APS X,Y,Z coords')
parser.add_option('--depth', dest='depth', metavar='string', parser.add_option('--depth', dest='depth', metavar='string',
help='depth') help='depth')
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if options.frame is None: if options.frame is None:
parser.error('frame not specified') parser.error('frame not specified')
if options.depth is None: if options.depth is None:
parser.error('depth not specified') parser.error('depth not specified')
# --- loop over input files ------------------------------------------------------------------------
if filenames == []: filenames = [None] theta=-0.75*np.pi
RotMat2TSL=np.array([[1., 0., 0.],
[0., np.cos(theta), np.sin(theta)], # Orientation to account for -135 deg
[0., -np.sin(theta), np.cos(theta)]]) # rotation for TSL convention
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name, damask.util.report(scriptName,name)
buffered = False)
except: continue
damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------ table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
coord = - table.get(options.frame)
coord[:,2] += table.get(options.depth)[:,0]
table.head_read() table.add('coord',
np.einsum('ijk,ik->ij',np.broadcast_to(RotMat2TSL,(coord.shape[0],3,3)),coord),
scriptID+' '+' '.join(sys.argv[1:]))
# ------------------------------------------ sanity checks ----------------------------------------- table.to_ASCII(sys.stdout if name is None else name)
errors = []
if table.label_dimension(options.frame) != 3:
errors.append('input {} does not have dimension 3.'.format(options.frame))
if table.label_dimension(options.depth) != 1:
errors.append('input {} does not have dimension 1.'.format(options.depth))
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
# ------------------------------------------ assemble header ---------------------------------------
table.labels_append(['%i_coord'%(i+1) for i in range(3)]) # extend ASCII header with new labels
table.head_write()
# ------------------------------------------ process data ------------------------------------------
theta=-0.75*np.pi
RotMat2TSL=np.array([[1., 0., 0.],
[0., np.cos(theta), np.sin(theta)], # Orientation to account for -135 deg
[0., -np.sin(theta), np.cos(theta)]]) # rotation for TSL convention
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
coord = list(map(float,table.data[table.label_index(options.frame):table.label_index(options.frame)+3]))
depth = float(table.data[table.label_index(options.depth)])
table.data_append(np.dot(RotMat2TSL,np.array([-coord[0],-coord[1],-coord[2]+depth])))
outputAlive = table.data_write() # output processed line
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables

2
processing/post/addCompatibilityMismatch.py
View File

@ -176,7 +176,7 @@ for name in filenames:
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.get(options.pos)) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
F = table.get(options.defgrad).reshape(grid[2],grid[1],grid[0],3,3) F = table.get(options.defgrad).reshape(grid[2],grid[1],grid[0],3,3)
nodes = damask.grid_filters.node_coord(size,F) nodes = damask.grid_filters.node_coord(size,F)

2
processing/post/addCurl.py
View File

@ -44,7 +44,7 @@ for name in filenames:
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.get(options.pos)) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
for label in options.labels: for label in options.labels:
field = table.get(label) field = table.get(label)

2
processing/post/addDisplacement.py
View File

@ -50,7 +50,7 @@ for name in filenames:
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.get(options.pos)) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
F = table.get(options.f).reshape(np.append(grid[::-1],(3,3))) F = table.get(options.f).reshape(np.append(grid[::-1],(3,3)))
if options.nodal: if options.nodal:

2
processing/post/addDivergence.py
View File

@ -44,7 +44,7 @@ for name in filenames:
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.get(options.pos)) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
for label in options.labels: for label in options.labels:
field = table.get(label) field = table.get(label)

2
processing/post/addEuclideanDistance.py
View File

@ -143,7 +143,7 @@ for name in filenames:
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.get(options.pos)) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
neighborhood = neighborhoods[options.neighborhood] neighborhood = neighborhoods[options.neighborhood]
diffToNeighbor = np.empty(list(grid+2)+[len(neighborhood)],'i') diffToNeighbor = np.empty(list(grid+2)+[len(neighborhood)],'i')

2
processing/post/addGradient.py
View File

@ -44,7 +44,7 @@ for name in filenames:
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.get(options.pos)) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
for label in options.labels: for label in options.labels:
field = table.get(label) field = table.get(label)

109
processing/post/addStrainTensors.py
View File

@ -2,25 +2,24 @@
import os import os
import sys import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
import numpy as np
import damask import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version]) scriptID = ' '.join([scriptName,damask.version])
def operator(stretch,strain,eigenvalues): def parameters(stretch,strain):
"""Albrecht Bertram: Elasticity and Plasticity of Large Deformations An Introduction (3rd Edition, 2012), p. 102.""" """Albrecht Bertram: Elasticity and Plasticity of Large Deformations An Introduction (3rd Edition, 2012), p. 102."""
return { return {
'V#ln': np.log(eigenvalues) , 'V#ln': ('V',0.0),
'U#ln': np.log(eigenvalues) , 'U#ln': ('U',0.0),
'V#Biot': ( np.ones(3,'d') - 1.0/eigenvalues ) , 'V#Biot': ('V',-.5),
'U#Biot': ( eigenvalues - np.ones(3,'d') ) , 'U#Biot': ('U',+.5),
'V#Green': ( np.ones(3,'d') - 1.0/eigenvalues/eigenvalues) *0.5, 'V#Green': ('V',-1.),
'U#Green': ( eigenvalues*eigenvalues - np.ones(3,'d')) *0.5, 'U#Green': ('U',+1.),
}[stretch+'#'+strain] }[stretch+'#'+strain]
@ -64,9 +63,10 @@ parser.set_defaults(
) )
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if len(options.defgrad) > 1: if len(options.defgrad) > 1:
options.defgrad = options.defgrad[1:] options.defgrad = options.defgrad[1:]
stretches = [] stretches = []
strains = [] strains = []
@ -78,84 +78,21 @@ if options.biot: strains.append('Biot')
if options.green: strains.append('Green') if options.green: strains.append('Green')
if options.defgrad is None: if options.defgrad is None:
parser.error('no data column specified.') parser.error('no data column specified.')
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: damask.util.report(scriptName,name)
table = damask.ASCIItable(name = name,
buffered = False) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
except IOError: continue
damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------ for defgrad in options.defgrad:
F = table.get(defgrad).reshape((-1,3,3))
table.head_read()
# ------------------------------------------ sanity checks ----------------------------------------
items = {
'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.defgrad, 'column': []},
}
errors = []
remarks = []
for type, data in items.items():
for what in data['labels']:
dim = table.label_dimension(what)
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
else:
items[type]['column'].append(table.label_index(what))
for theStretch in stretches: for theStretch in stretches:
for theStrain in strains: for theStrain in strains:
table.labels_append(['{}_{}({}){}'.format(i+1, # extend ASCII header with new labels (t,m) = parameters(theStretch,theStrain)
theStrain, label = '{}({}){}'.format(theStrain,theStretch,defgrad if defgrad != 'f' else '')
theStretch, table.add(label,
what if what != 'f' else '') for i in range(9)]) damask.mechanics.strain_tensor(F,t,m).reshape((-1,9)),
scriptID+' '+' '.join(sys.argv[1:]))
if remarks != []: damask.util.croak(remarks) table.to_ASCII(sys.stdout if name is None else name)
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.head_write()
# ------------------------------------------ process data ------------------------------------------
stretch = {}
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
for column in items['tensor']['column']: # loop over all requested defgrads
F = np.array(list(map(float,table.data[column:column+items['tensor']['dim']])),'d').reshape(items['tensor']['shape'])
(U,S,Vh) = np.linalg.svd(F) # singular value decomposition
R_inv = np.dot(U,Vh).T # rotation of polar decomposition
stretch['U'] = np.dot(R_inv,F) # F = RU
stretch['V'] = np.dot(F,R_inv) # F = VR
for theStretch in stretches:
stretch[theStretch] = np.where(abs(stretch[theStretch]) < 1e-12, 0, stretch[theStretch]) # kill nasty noisy data
(D,V) = np.linalg.eigh((stretch[theStretch]+stretch[theStretch].T)*0.5) # eigen decomposition (of symmetric(ed) matrix)
neg = np.where(D < 0.0) # find negative eigenvalues ...
D[neg] *= -1. # ... flip value ...
V[:,neg] *= -1. # ... and vector
for theStrain in strains:
d = operator(theStretch,theStrain,D) # operate on eigenvalues of U or V
eps = np.dot(V,np.dot(np.diag(d),V.T)).reshape(9) # build tensor back from eigenvalue/vector basis
table.data_append(list(eps))
# ------------------------------------------ output result -----------------------------------------
outputAlive = table.data_write() # output processed line
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables

58
processing/post/addTable.py
View File

@ -2,6 +2,7 @@
import os import os
import sys import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
import damask import damask
@ -25,56 +26,19 @@ parser.add_option('-a', '--add','--table',
help = 'tables to add') help = 'tables to add')
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if options.table is None:
parser.error('no table specified.')
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None] if filenames == []: filenames = [None]
if options.table is None:
parser.error('no table specified.')
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name, damask.util.report(scriptName,name)
buffered = False)
except: continue
damask.util.report(scriptName,name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
tables = [] for addTable in options.table:
for addTable in options.table: table2 = damask.Table.from_ASCII(addTable)
try: tables.append(damask.ASCIItable(name = addTable, table2.data = table2.data[:table.data.shape[0]]
buffered = False, table.join(table2)
readonly = True)
)
except: continue
# ------------------------------------------ read headers ------------------------------------------ table.to_ASCII(sys.stdout if name is None else name)
table.head_read()
for addTable in tables: addTable.head_read()
# ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
for addTable in tables: table.labels_append(addTable.labels(raw = True)) # extend ASCII header with new labels
table.head_write()
# ------------------------------------------ process data ------------------------------------------
outputAlive = True
while outputAlive and table.data_read():
for addTable in tables:
outputAlive = addTable.data_read() # read next table's data
if not outputAlive: break
table.data_append(addTable.data) # append to master table
if outputAlive:
outputAlive = table.data_write() # output processed line
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables
for addTable in tables:
addTable.close()

67
processing/post/averageDown.py
View File

@ -2,6 +2,7 @@
import os import os
import sys import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
import numpy as np import numpy as np
@ -49,6 +50,7 @@ parser.set_defaults(pos = 'pos',
) )
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
packing = np.array(options.packing,dtype = int) packing = np.array(options.packing,dtype = int)
shift = np.array(options.shift, dtype = int) shift = np.array(options.shift, dtype = int)
@ -56,47 +58,14 @@ shift = np.array(options.shift, dtype = int)
prefix = 'averagedDown{}x{}x{}_'.format(*packing) prefix = 'averagedDown{}x{}x{}_'.format(*packing)
if any(shift != 0): prefix += 'shift{:+}{:+}{:+}_'.format(*shift) if any(shift != 0): prefix += 'shift{:+}{:+}{:+}_'.format(*shift)
# --- loop over input files ------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name,
outname = os.path.join(os.path.dirname(name),
prefix+os.path.basename(name)) if name else name,
buffered = False)
except IOError:
continue
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------
table.head_read()
# ------------------------------------------ sanity checks ----------------------------------------
errors = []
remarks = []
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos)) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
if remarks != []: damask.util.croak(remarks)
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# ------------------------------------------ assemble header ---------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.head_write()
# --------------- figure out size and grid ---------------------------------------------------------
table.data_readArray()
if (options.grid is None or options.size is None): if (options.grid is None or options.size is None):
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.data[:,table.label_indexrange(options.pos)]) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
else: else:
grid = np.array(options.grid,'i') grid = np.array(options.grid,'i')
size = np.array(options.size,'d') size = np.array(options.size,'d')
@ -105,37 +74,25 @@ for name in filenames:
shift = np.where(grid == 1,0,shift) # reset shift to 0 where grid==1 shift = np.where(grid == 1,0,shift) # reset shift to 0 where grid==1
packedGrid = np.maximum(np.ones(3,'i'),grid//packing) packedGrid = np.maximum(np.ones(3,'i'),grid//packing)
data = table.data.values.reshape(tuple(grid)+(-1,),order = 'F')
averagedDown = scipy.ndimage.filters.uniform_filter( \ averagedDown = scipy.ndimage.filters.uniform_filter( \
np.roll( np.roll(
np.roll( np.roll(
np.roll(table.data.reshape(list(grid)+[table.data.shape[1]],order = 'F'), np.roll(data,
-shift[0],axis = 0), -shift[0],axis = 0),
-shift[1],axis = 1), -shift[1],axis = 1),
-shift[2],axis = 2), -shift[2],axis = 2),
size = list(packing) + [1], size = list(packing) + [1],
mode = 'wrap', mode = 'wrap',
origin = list(-(packing//2)) + [0])\ origin = list(-(packing//2)) + [0])\
[::packing[0],::packing[1],::packing[2],:].reshape((packedGrid.prod(),table.data.shape[1]),order = 'F') [::packing[0],::packing[1],::packing[2],:].reshape((packedGrid.prod(),-1),order = 'F')
table.data = averagedDown table = damask.Table(averagedDown,table.shapes,table.comments)
#--- generate grid -------------------------------------------------------------------------------- coords = damask.grid_filters.cell_coord0(packedGrid,size,shift/packedGrid*size+origin)
table.set(options.pos, coords.reshape((-1,3)))
x = (0.5 + shift[0] + np.arange(packedGrid[0],dtype=float))/packedGrid[0]*size[0]
y = (0.5 + shift[1] + np.arange(packedGrid[1],dtype=float))/packedGrid[1]*size[1]
z = (0.5 + shift[2] + np.arange(packedGrid[2],dtype=float))/packedGrid[2]*size[2]
xx = np.tile( x, packedGrid[1]* packedGrid[2]) outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
yy = np.tile(np.repeat(y,packedGrid[0] ),packedGrid[2]) table.to_ASCII(sys.stdout if name is None else outname)
zz = np.repeat(z,packedGrid[0]*packedGrid[1])
table.data[:,table.label_indexrange(options.pos)] = np.squeeze(np.dstack((xx,yy,zz)))
# ------------------------------------------ output result -----------------------------------------
table.data_writeArray()
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables

77
processing/post/blowUp.py
View File

@ -2,8 +2,10 @@
import os import os
import sys import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
from scipy import ndimage
import numpy as np import numpy as np
import damask import damask
@ -42,82 +44,29 @@ parser.set_defaults(pos = 'pos',
) )
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
options.packing = np.array(options.packing) options.packing = np.array(options.packing)
prefix = 'blowUp{}x{}x{}_'.format(*options.packing) prefix = 'blowUp{}x{}x{}_'.format(*options.packing)
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name,
outname = os.path.join(os.path.dirname(name),
prefix+os.path.basename(name)) if name else name,
buffered = False)
except IOError:
continue
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------
table.head_read()
# ------------------------------------------ sanity checks ----------------------------------------
errors = [] table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
remarks = [] grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
if table.label_dimension(options.pos) != 3: errors.append('coordinates "{}" are not a vector.'.format(options.pos))
colElem = table.label_index('elem')
if remarks != []: damask.util.croak(remarks)
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# --------------- figure out size and grid ---------------------------------------------------------
table.data_readArray(options.pos)
table.data_rewind()
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.data)
packing = np.array(options.packing,'i') packing = np.array(options.packing,'i')
outSize = grid*packing outSize = grid*packing
# ------------------------------------------ assemble header -------------------------------------- data = table.data.values.reshape(tuple(grid)+(-1,))
blownUp = ndimage.interpolation.zoom(data,tuple(packing)+(1,),order=0,mode='nearest').reshape((outSize.prod(),-1))
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table = damask.Table(blownUp,table.shapes,table.comments)
table.head_write()
# ------------------------------------------ process data ------------------------------------------- coords = damask.grid_filters.cell_coord0(outSize,size,origin)
table.set(options.pos,coords.reshape((-1,3)))
data = np.zeros(outSize.tolist()+[len(table.labels(raw = True))]) table.set('elem',np.arange(1,outSize.prod()+1))
p = np.zeros(3,'i')
for p[2] in range(grid[2]): outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
for p[1] in range(grid[1]): table.to_ASCII(sys.stdout if name is None else outname)
for p[0] in range(grid[0]):
d = p*packing
table.data_read()
data[d[0]:d[0]+packing[0],
d[1]:d[1]+packing[1],
d[2]:d[2]+packing[2],
: ] = np.tile(np.array(table.data_asFloat(),'d'),packing.tolist()+[1]) # tile to match blowUp voxel size
elementSize = size/grid/packing
elem = 1
for c in range(outSize[2]):
for b in range(outSize[1]):
for a in range(outSize[0]):
data[a,b,c,table.label_indexrange(options.pos)] = [a+0.5,b+0.5,c+0.5]*elementSize
if colElem != -1: data[a,b,c,colElem] = elem
table.data = data[a,b,c,:].tolist()
outputAlive = table.data_write() # output processed line
elem += 1
# ------------------------------------------ output finalization -----------------------------------
table.close() # close input ASCII table (works for stdin)

56
processing/post/growTable.py
View File

@ -2,10 +2,9 @@
import os import os
import sys import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
import numpy as np
import damask import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptName = os.path.splitext(os.path.basename(__file__))[0]
@ -27,53 +26,18 @@ parser.add_option('-a', '--add','--table',
help = 'tables to add') help = 'tables to add')
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if options.table is None:
parser.error('no table specified.')
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None] if filenames == []: filenames = [None]
if options.table is None:
parser.error('no table specified.')
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name, damask.util.report(scriptName,name)
buffered = False)
except: continue
damask.util.report(scriptName,name) table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
tables = [] for growTable in options.table:
for addTable in options.table: table2 = damask.Table.from_ASCII(growTable)
try: tables.append(damask.ASCIItable(name = addTable, table.append(table2)
buffered = False,
readonly = True)
)
except: continue
# ------------------------------------------ read headers ------------------------------------------ table.to_ASCII(sys.stdout if name is None else name)
table.head_read()
for addTable in tables: addTable.head_read()
# ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.head_write()
# ------------------------------------------ process data ------------------------------------------
table.data_readArray()
data = table.data
for addTable in tables:
addTable.data_readArray(table.labels(raw = True))
data = np.vstack((data,addTable.data))
table.data = data
table.data_writeArray()
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables
for addTable in tables:
addTable.close()

95
processing/post/vtk_addGridData.py
View File

@ -1,8 +1,9 @@
#!/usr/bin/env python3 #!/usr/bin/env python3
import os import os
import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
from collections import defaultdict
import vtk import vtk
from vtk.util import numpy_support from vtk.util import numpy_support
@ -18,11 +19,10 @@ scriptID = ' '.join([scriptName,damask.version])
# MAIN # MAIN
# -------------------------------------------------------------------- # --------------------------------------------------------------------
msg = "Add scalars, vectors, and/or an RGB tuple from"
msg += "an ASCIItable to existing VTK grid (.vtr/.vtk/.vtu)."
parser = OptionParser(option_class=damask.extendableOption, parser = OptionParser(option_class=damask.extendableOption,
usage='%prog options [ASCIItable(s)]', usage='%prog options [ASCIItable(s)]',
description = msg, description = "Add scalars, vectors, tensors, and/or an RGB tuple from ASCIItable "
+ "to existing VTK grid (.vtr/.vtk/.vtu).",
version = scriptID) version = scriptID)
parser.add_option( '--vtk', parser.add_option( '--vtk',
@ -49,10 +49,10 @@ parser.add_option('-c', '--color',
parser.set_defaults(data = [], parser.set_defaults(data = [],
tensor = [], tensor = [],
color = [], color = [],
render = False,
) )
(options, filenames) = parser.parse_args() (options, filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if not options.vtk: parser.error('No VTK file specified.') if not options.vtk: parser.error('No VTK file specified.')
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.') if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
@ -87,65 +87,28 @@ Ncells = rGrid.GetNumberOfCells()
damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells)) damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells))
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name, damask.util.report(scriptName,name)
buffered = False,
readonly = True)
except: continue
damask.util.report(scriptName, name)
# --- interpret header ---------------------------------------------------------------------------- table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
table.head_read()
remarks = []
errors = []
VTKarray = {} VTKarray = {}
active = defaultdict(list) for data in options.data:
VTKarray[data] = numpy_support.numpy_to_vtk(table.get(data).copy(),
deep=True,array_type=vtk.VTK_DOUBLE)
VTKarray[data].SetName(data)
for color in options.color:
VTKarray[color] = numpy_support.numpy_to_vtk((table.get(color)*255).astype(int).copy(),
deep=True,array_type=vtk.VTK_UNSIGNED_CHAR)
VTKarray[color].SetName(color)
for datatype,dimension,label in [['data',99,options.data], for tensor in options.tensor:
['tensor',9,options.tensor], data = damask.mechanics.symmetric(table.get(tensor).reshape((-1,3,3))).reshape((-1,9))
['color' ,3,options.color], VTKarray[tensor] = numpy_support.numpy_to_vtk(data.copy(),
]: deep=True,array_type=vtk.VTK_DOUBLE)
for i,dim in enumerate(table.label_dimension(label)): VTKarray[tensor].SetName(tensor)
me = label[i]
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
else:
remarks.append('adding {} "{}"...'.format(datatype,me))
active[datatype].append(me)
if remarks != []: damask.util.croak(remarks)
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# ------------------------------------------ process data ---------------------------------------
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
for datatype,labels in active.items(): # loop over scalar,color
for me in labels: # loop over all requested items
VTKtype = vtk.VTK_DOUBLE
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
if datatype == 'color':
VTKtype = vtk.VTK_UNSIGNED_CHAR
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
elif datatype == 'tensor':
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
VTKarray[me].SetName(me)
table.close() # close input ASCII table
# ------------------------------------------ add data --------------------------------------- # ------------------------------------------ add data ---------------------------------------
@ -157,16 +120,10 @@ for name in filenames:
damask.util.croak('{} mode...'.format(mode)) damask.util.croak('{} mode...'.format(mode))
for datatype,labels in active.items(): # loop over scalar,color for data in VTKarray:
if datatype == 'color': if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[data])
if mode == 'cell': rGrid.GetCellData().SetScalars(VTKarray[active['color'][0]]) elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[data])
elif mode == 'point': rGrid.GetPointData().SetScalars(VTKarray[active['color'][0]])
for me in labels: # loop over all requested items
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[me])
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[me])
rGrid.Modified() rGrid.Modified()
if vtk.VTK_MAJOR_VERSION <= 5: rGrid.Update()
# ------------------------------------------ output result --------------------------------------- # ------------------------------------------ output result ---------------------------------------
@ -184,7 +141,7 @@ if options.render:
actor.SetMapper(mapper) actor.SetMapper(mapper)
# Create the graphics structure. The renderer renders into the # Create the graphics structure. The renderer renders into the
# render window. The render window interactor captures mouse events # render window. The render window interactively captures mouse events
# and will perform appropriate camera or actor manipulation # and will perform appropriate camera or actor manipulation
# depending on the nature of the events. # depending on the nature of the events.

102
processing/post/vtk_addPointCloudData.py
View File

@ -1,8 +1,9 @@
#!/usr/bin/env python3 #!/usr/bin/env python3
import os import os
import sys
from io import StringIO
from optparse import OptionParser from optparse import OptionParser
from collections import defaultdict
import vtk import vtk
from vtk.util import numpy_support from vtk.util import numpy_support
@ -20,7 +21,8 @@ scriptID = ' '.join([scriptName,damask.version])
parser = OptionParser(option_class=damask.extendableOption, parser = OptionParser(option_class=damask.extendableOption,
usage='%prog options [ASCIItable(s)]', usage='%prog options [ASCIItable(s)]',
description = """Add scalar and RGB tuples from ASCIItable to existing VTK point cloud (.vtp).""", description = "Add scalars, vectors, tensors, and/or an RGB tuple from ASCIItable "
+ "VTK point cloud (.vtp).",
version = scriptID) version = scriptID)
parser.add_option( '--vtk', parser.add_option( '--vtk',
@ -39,9 +41,10 @@ parser.add_option('-t', '--tensor',
dest = 'tensor', dest = 'tensor',
action = 'extend', metavar = '<string LIST>', action = 'extend', metavar = '<string LIST>',
help = 'tensor (3x3) value label(s)') help = 'tensor (3x3) value label(s)')
parser.add_option('-c', '--color', dest='color', action='extend', parser.add_option('-c', '--color',
metavar ='<string LIST>', dest = 'color',
help = 'RGB color tuples') action = 'extend', metavar = '<string LIST>',
help = 'RGB color tuple label')
parser.set_defaults(data = [], parser.set_defaults(data = [],
tensor = [], tensor = [],
@ -49,8 +52,9 @@ parser.set_defaults(data = [],
) )
(options, filenames) = parser.parse_args() (options, filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if not options.vtk: parser.error('no VTK file specified.') if not options.vtk: parser.error('No VTK file specified.')
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.') if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
vtk_file,vtk_ext = os.path.splitext(options.vtk) vtk_file,vtk_ext = os.path.splitext(options.vtk)
@ -77,81 +81,35 @@ if Npoints != Ncells or Npoints != Nvertices:
damask.util.croak('{}: {} points/vertices/cells...'.format(options.vtk,Npoints)) damask.util.croak('{}: {} points/vertices/cells...'.format(options.vtk,Npoints))
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name, damask.util.report(scriptName,name)
buffered = False,
readonly = True)
except: continue
damask.util.report(scriptName, name)
# --- interpret header ---------------------------------------------------------------------------- table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
table.head_read()
remarks = []
errors = []
VTKarray = {} VTKarray = {}
active = defaultdict(list) for data in options.data:
VTKarray[data] = numpy_support.numpy_to_vtk(table.get(data).copy(),
deep=True,array_type=vtk.VTK_DOUBLE)
VTKarray[data].SetName(data)
for color in options.color:
VTKarray[color] = numpy_support.numpy_to_vtk((table.get(color)*255).astype(int).copy(),
deep=True,array_type=vtk.VTK_UNSIGNED_CHAR)
VTKarray[color].SetName(color)
for datatype,dimension,label in [['data',0,options.data], for tensor in options.tensor:
['tensor',9,options.tensor], data = damask.mechanics.symmetric(table.get(tensor).reshape((-1,3,3))).reshape((-1,9))
['color' ,3,options.color], VTKarray[tensor] = numpy_support.numpy_to_vtk(data.copy(),
]: deep=True,array_type=vtk.VTK_DOUBLE)
for i,dim in enumerate(table.label_dimension(label)): VTKarray[tensor].SetName(tensor)
me = label[i]
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
elif dimension > 0 \
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
else:
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
me))
active[datatype].append(me)
if remarks != []: damask.util.croak(remarks)
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# --------------------------------------- process and add data -----------------------------------
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
for datatype,labels in active.items(): # loop over scalar,color
for me in labels: # loop over all requested items
VTKtype = vtk.VTK_DOUBLE
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
if datatype == 'color':
VTKtype = vtk.VTK_UNSIGNED_CHAR
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
elif datatype == 'tensor':
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
VTKarray[me].SetName(me)
if datatype == 'color':
Polydata.GetPointData().SetScalars(VTKarray[me])
Polydata.GetCellData().SetScalars(VTKarray[me])
else:
Polydata.GetPointData().AddArray(VTKarray[me])
Polydata.GetCellData().AddArray(VTKarray[me])
table.input_close() # close input ASCII table for data in VTKarray:
Polydata.GetPointData().AddArray(VTKarray[data])
Polydata.Modified()
# ------------------------------------------ output result --------------------------------------- # ------------------------------------------ output result ---------------------------------------
Polydata.Modified()
writer = vtk.vtkXMLPolyDataWriter() writer = vtk.vtkXMLPolyDataWriter()
writer.SetDataModeToBinary() writer.SetDataModeToBinary()
writer.SetCompressorTypeToZLib() writer.SetCompressorTypeToZLib()

199
processing/post/vtk_addRectilinearGridData.py
View File

@ -1,199 +0,0 @@
#!/usr/bin/env python3
import os
from optparse import OptionParser
from collections import defaultdict
import vtk
from vtk.util import numpy_support
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
msg = "Add scalars, vectors, and/or an RGB tuple from"
msg += "an ASCIItable to existing VTK rectilinear grid (.vtr/.vtk)."
parser = OptionParser(option_class=damask.extendableOption,
usage='%prog options [file[s]]',
description = msg,
version = scriptID)
parser.add_option( '--vtk',
dest = 'vtk',
type = 'string', metavar = 'string',
help = 'VTK file name')
parser.add_option('-r', '--render',
dest = 'render',
action = 'store_true',
help = 'open output in VTK render window')
parser.add_option('-d', '--data',
dest = 'data',
action = 'extend', metavar = '<string LIST>',
help = 'scalar/vector value(s) label(s)')
parser.add_option('-t', '--tensor',
dest = 'tensor',
action = 'extend', metavar = '<string LIST>',
help = 'tensor (3x3) value label(s)')
parser.add_option('-c', '--color',
dest = 'color',
action = 'extend', metavar = '<string LIST>',
help = 'RGB color tuple label')
parser.set_defaults(data = [],
tensor = [],
color = [],
render = False,
)
(options, filenames) = parser.parse_args()
if not options.vtk: parser.error('no VTK file specified.')
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
vtk_file,vtk_ext = os.path.splitext(options.vtk)
if vtk_ext == '.vtr':
reader = vtk.vtkXMLRectilinearGridReader()
reader.SetFileName(options.vtk)
reader.Update()
rGrid = reader.GetOutput()
elif vtk_ext == '.vtk':
reader = vtk.vtkGenericDataObjectReader()
reader.SetFileName(options.vtk)
reader.Update()
rGrid = reader.GetRectilinearGridOutput()
else:
parser.error('unsupported VTK file type extension.')
Npoints = rGrid.GetNumberOfPoints()
Ncells = rGrid.GetNumberOfCells()
damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells))
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames:
try: table = damask.ASCIItable(name = name,
buffered = False,
readonly = True)
except: continue
damask.util.report(scriptName, name)
# --- interpret header ----------------------------------------------------------------------------
table.head_read()
remarks = []
errors = []
VTKarray = {}
active = defaultdict(list)
for datatype,dimension,label in [['data',0,options.data],
['tensor',9,options.tensor],
['color' ,3,options.color],
]:
for i,dim in enumerate(table.label_dimension(label)):
me = label[i]
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
elif dimension > 0 \
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
else:
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
me))
active[datatype].append(me)
if remarks != []: damask.util.croak(remarks)
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# ------------------------------------------ process data ---------------------------------------
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
for datatype,labels in active.items(): # loop over scalar,color
for me in labels: # loop over all requested items
VTKtype = vtk.VTK_DOUBLE
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
if datatype == 'color':
VTKtype = vtk.VTK_UNSIGNED_CHAR
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
elif datatype == 'tensor':
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
VTKarray[me].SetName(me)
table.close() # close input ASCII table
# ------------------------------------------ add data ---------------------------------------
if len(table.data) == Npoints: mode = 'point'
elif len(table.data) == Ncells: mode = 'cell'
else:
damask.util.croak('data count is incompatible with grid...')
continue
damask.util.croak('{} mode...'.format(mode))
for datatype,labels in active.items(): # loop over scalar,color
if datatype == 'color':
if mode == 'cell': rGrid.GetCellData().SetScalars(VTKarray[active['color'][0]])
elif mode == 'point': rGrid.GetPointData().SetScalars(VTKarray[active['color'][0]])
for me in labels: # loop over all requested items
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[me])
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[me])
rGrid.Modified()
# ------------------------------------------ output result ---------------------------------------
writer = vtk.vtkXMLRectilinearGridWriter()
writer.SetDataModeToBinary()
writer.SetCompressorTypeToZLib()
writer.SetFileName(vtk_file+'.'+writer.GetDefaultFileExtension())
writer.SetInputData(rGrid)
writer.Write()
# ------------------------------------------ render result ---------------------------------------
if options.render:
mapper = vtk.vtkDataSetMapper()
mapper.SetInputData(rGrid)
actor = vtk.vtkActor()
actor.SetMapper(mapper)
# Create the graphics structure. The renderer renders into the
# render window. The render window interactor captures mouse events
# and will perform appropriate camera or actor manipulation
# depending on the nature of the events.
ren = vtk.vtkRenderer()
renWin = vtk.vtkRenderWindow()
renWin.AddRenderer(ren)
ren.AddActor(actor)
ren.SetBackground(1, 1, 1)
renWin.SetSize(200, 200)
iren = vtk.vtkRenderWindowInteractor()
iren.SetRenderWindow(renWin)
iren.Initialize()
renWin.Render()
iren.Start()

2
processing/pre/geom_fromTable.py
View File

@ -86,7 +86,7 @@ for name in filenames:
if options.phase is None: if options.phase is None:
table.data = np.column_stack((table.data,np.ones(len(table.data)))) # add single phase if no phase column given table.data = np.column_stack((table.data,np.ones(len(table.data)))) # add single phase if no phase column given
grid,size,origin = damask.grid_filters.cell_coord0_2_DNA(table.data[:,0:3]) grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.data[:,0:3])
indices = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # indices of position when sorting x fast, z slow indices = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # indices of position when sorting x fast, z slow
microstructure = np.empty(grid,dtype = int) # initialize empty microstructure microstructure = np.empty(grid,dtype = int) # initialize empty microstructure

4
processing/pre/geom_toTable.py
View File

@ -30,7 +30,7 @@ for name in filenames:
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name) geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
damask.util.croak(geom) damask.util.croak(geom)
coord0 = damask.grid_filters.cell_coord0(geom.grid,geom.size,geom.origin).reshape((-1,3),order='F') coord0 = damask.grid_filters.cell_coord0(geom.grid,geom.size,geom.origin).reshape((-1,3))
comments = geom.comments \ comments = geom.comments \
+ [scriptID + ' ' + ' '.join(sys.argv[1:]), + [scriptID + ' ' + ' '.join(sys.argv[1:]),
@ -40,7 +40,7 @@ for name in filenames:
"homogenization\t{}".format(geom.homogenization)] "homogenization\t{}".format(geom.homogenization)]
table = damask.Table(coord0,{'pos':(3,)},comments) table = damask.Table(coord0,{'pos':(3,)},comments)
table.add('microstructure',geom.microstructure.reshape((-1,1))) table.add('microstructure',geom.microstructure.reshape((-1,1),order='F'))
table.to_ASCII(sys.stdout if name is None else \ table.to_ASCII(sys.stdout if name is None else \
os.path.splitext(name)[0]+'.txt') os.path.splitext(name)[0]+'.txt')

20
python/damask/colormaps.py
View File

@ -1,5 +1,3 @@
import math
import numpy as np import numpy as np
class Color(): class Color():
@ -328,11 +326,11 @@ class Color():
if self.model != 'CIELAB': return if self.model != 'CIELAB': return
Msh = np.zeros(3,'d') Msh = np.zeros(3,'d')
Msh[0] = math.sqrt(np.dot(self.color,self.color)) Msh[0] = np.sqrt(np.dot(self.color,self.color))
if (Msh[0] > 0.001): if (Msh[0] > 0.001):
Msh[1] = math.acos(self.color[0]/Msh[0]) Msh[1] = np.arccos(self.color[0]/Msh[0])
if (self.color[1] != 0.0): if (self.color[1] != 0.0):
Msh[2] = math.atan2(self.color[2],self.color[1]) Msh[2] = np.arctan2(self.color[2],self.color[1])
converted = Color('MSH', Msh) converted = Color('MSH', Msh)
self.model = converted.model self.model = converted.model
@ -349,9 +347,9 @@ class Color():
if self.model != 'MSH': return if self.model != 'MSH': return
Lab = np.zeros(3,'d') Lab = np.zeros(3,'d')
Lab[0] = self.color[0] * math.cos(self.color[1]) Lab[0] = self.color[0] * np.cos(self.color[1])
Lab[1] = self.color[0] * math.sin(self.color[1]) * math.cos(self.color[2]) Lab[1] = self.color[0] * np.sin(self.color[1]) * np.cos(self.color[2])
Lab[2] = self.color[0] * math.sin(self.color[1]) * math.sin(self.color[2]) Lab[2] = self.color[0] * np.sin(self.color[1]) * np.sin(self.color[2])
converted = Color('CIELAB', Lab) converted = Color('CIELAB', Lab)
self.model = converted.model self.model = converted.model
@ -476,14 +474,14 @@ class Colormap():
if Msh_sat[0] >= Msh_unsat[0]: if Msh_sat[0] >= Msh_unsat[0]:
return Msh_sat[2] return Msh_sat[2]
else: else:
hSpin = Msh_sat[1]/math.sin(Msh_sat[1])*math.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0] hSpin = Msh_sat[1]/np.sin(Msh_sat[1])*np.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0]
if Msh_sat[2] < - math.pi/3.0: hSpin *= -1.0 if Msh_sat[2] < - np.pi/3.0: hSpin *= -1.0
return Msh_sat[2] + hSpin return Msh_sat[2] + hSpin
Msh1 = np.array(lo[:]) Msh1 = np.array(lo[:])
Msh2 = np.array(hi[:]) Msh2 = np.array(hi[:])
if (Msh1[1] > 0.05 and Msh2[1] > 0.05 and rad_diff(Msh1,Msh2) > math.pi/3.0): if (Msh1[1] > 0.05 and Msh2[1] > 0.05 and rad_diff(Msh1,Msh2) > np.pi/3.0):
M_mid = max(Msh1[0],Msh2[0],88.0) M_mid = max(Msh1[0],Msh2[0],88.0)
if frac < 0.5: if frac < 0.5:
Msh2 = np.array([M_mid,0.0,0.0],'d') Msh2 = np.array([M_mid,0.0,0.0],'d')

14
python/damask/dadf5.py
View File

@ -102,7 +102,7 @@ class DADF5():
elif datasets is False: elif datasets is False:
datasets = [] datasets = []
choice = [datasets] if isinstance(datasets,str) else datasets choice = [datasets] if isinstance(datasets,str) else datasets
valid = [e for e_ in [glob.fnmatch.filter(getattr(self,what),s) for s in choice] for e in e_] valid = [e for e_ in [glob.fnmatch.filter(getattr(self,what),s) for s in choice] for e in e_]
existing = set(self.visible[what]) existing = set(self.visible[what])
@ -339,8 +339,8 @@ class DADF5():
"""Return information on all active datasets in the file.""" """Return information on all active datasets in the file."""
message = '' message = ''
with h5py.File(self.fname,'r') as f: with h5py.File(self.fname,'r') as f:
for s,i in enumerate(self.iter_visible('increments')): for i in self.iter_visible('increments'):
message+='\n{} ({}s)\n'.format(i,self.times[s]) message+='\n{} ({}s)\n'.format(i,self.times[self.increments.index(i)])
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']): for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
for oo in self.iter_visible(o): for oo in self.iter_visible(o):
message+=' {}\n'.format(oo) message+=' {}\n'.format(oo)
@ -855,7 +855,7 @@ class DADF5():
Parameters Parameters
---------- ----------
labels : list of str labels : str or list of
Labels of the datasets to be exported. Labels of the datasets to be exported.
mode : str, either 'Cell' or 'Point' mode : str, either 'Cell' or 'Point'
Export in cell format or point format. Export in cell format or point format.
@ -880,7 +880,7 @@ class DADF5():
else: else:
nodes = vtk.vtkPoints() nodes = vtk.vtkPoints()
with h5py.File(self.fname) as f: with h5py.File(self.fname,'r') as f:
nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True)) nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True))
vtk_geom = vtk.vtkUnstructuredGrid() vtk_geom = vtk.vtkUnstructuredGrid()
@ -908,7 +908,7 @@ class DADF5():
materialpoints_backup = self.visible['materialpoints'].copy() materialpoints_backup = self.visible['materialpoints'].copy()
self.set_visible('materialpoints',False) self.set_visible('materialpoints',False)
for label in labels: for label in (labels if isinstance(labels,list) else [labels]):
for p in self.iter_visible('con_physics'): for p in self.iter_visible('con_physics'):
if p != 'generic': if p != 'generic':
for c in self.iter_visible('constituents'): for c in self.iter_visible('constituents'):
@ -939,7 +939,7 @@ class DADF5():
constituents_backup = self.visible['constituents'].copy() constituents_backup = self.visible['constituents'].copy()
self.set_visible('constituents',False) self.set_visible('constituents',False)
for label in labels: for label in (labels if isinstance(labels,list) else [labels]):
for p in self.iter_visible('mat_physics'): for p in self.iter_visible('mat_physics'):
if p != 'generic': if p != 'generic':
for m in self.iter_visible('materialpoints'): for m in self.iter_visible('materialpoints'):

2
python/damask/geom.py
View File

@ -422,7 +422,7 @@ class Geom():
ext = os.path.splitext(fname)[1] ext = os.path.splitext(fname)[1]
if ext == '': if ext == '':
name = fname + '.' + writer.GetDefaultFileExtension() name = fname + '.' + writer.GetDefaultFileExtension()
elif ext == writer.GetDefaultFileExtension(): elif ext[1:] == writer.GetDefaultFileExtension():
name = fname name = fname
else: else:
raise ValueError("unknown extension {}".format(ext)) raise ValueError("unknown extension {}".format(ext))

10
python/damask/grid_filters.py
View File

@ -181,7 +181,7 @@ def cell_coord(size,F,origin=np.zeros(3)):
""" """
return cell_coord0(F.shape[:3][::-1],size,origin) + cell_displacement(size,F) return cell_coord0(F.shape[:3][::-1],size,origin) + cell_displacement(size,F)
def cell_coord0_2_DNA(coord0,ordered=True): def cell_coord0_gridSizeOrigin(coord0,ordered=True):
""" """
Return grid 'DNA', i.e. grid, size, and origin from array of cell positions. Return grid 'DNA', i.e. grid, size, and origin from array of cell positions.
@ -200,6 +200,10 @@ def cell_coord0_2_DNA(coord0,ordered=True):
size = grid/np.maximum(grid-1,1) * (maxcorner-mincorner) size = grid/np.maximum(grid-1,1) * (maxcorner-mincorner)
delta = size/grid delta = size/grid
origin = mincorner - delta*.5 origin = mincorner - delta*.5
# 1D/2D: size/origin combination undefined, set origin to 0.0
size [np.where(grid==1)] = origin[np.where(grid==1)]*2.
origin[np.where(grid==1)] = 0.0
if grid.prod() != len(coord0): if grid.prod() != len(coord0):
raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid)) raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid))
@ -227,7 +231,7 @@ def coord0_check(coord0):
array of undeformed cell coordinates. array of undeformed cell coordinates.
""" """
cell_coord0_2_DNA(coord0,ordered=True) cell_coord0_gridSizeOrigin(coord0,ordered=True)
@ -327,7 +331,7 @@ def node_2_cell(node_data):
return c[:-1,:-1,:-1] return c[:-1,:-1,:-1]
def node_coord0_2_DNA(coord0,ordered=False): def node_coord0_gridSizeOrigin(coord0,ordered=False):
""" """
Return grid 'DNA', i.e. grid, size, and origin from array of nodal positions. Return grid 'DNA', i.e. grid, size, and origin from array of nodal positions.

22
python/damask/mechanics.py
View File

@ -58,10 +58,10 @@ def strain_tensor(F,t,m):
""" """
F_ = F.reshape((1,3,3)) if F.shape == (3,3) else F F_ = F.reshape((1,3,3)) if F.shape == (3,3) else F
if t == 'U': if t == 'V':
B = np.matmul(F_,transpose(F_)) B = np.matmul(F_,transpose(F_))
w,n = np.linalg.eigh(B) w,n = np.linalg.eigh(B)
elif t == 'V': elif t == 'U':
C = np.matmul(transpose(F_),F_) C = np.matmul(transpose(F_),F_)
w,n = np.linalg.eigh(C) w,n = np.linalg.eigh(C)
@ -92,21 +92,27 @@ def deviatoric_part(x):
x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x)) x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x))
def spherical_part(x): def spherical_part(x,tensor=False):
""" """
Return spherical (hydrostatic) part of a tensor. Return spherical (hydrostatic) part of a tensor.
A single scalar is returned, i.e. the hydrostatic part is not mapped on the 3rd order identity
matrix.
Parameters Parameters
---------- ----------
x : numpy.array of shape (:,3,3) or (3,3) x : numpy.array of shape (:,3,3) or (3,3)
Tensor of which the hydrostatic part is computed. Tensor of which the hydrostatic part is computed.
tensor : bool, optional
Map spherical part onto identity tensor. Default is false
""" """
return np.trace(x)/3.0 if np.shape(x) == (3,3) else \ if x.shape == (3,3):
np.trace(x,axis1=1,axis2=2)/3.0 sph = np.trace(x)/3.0
return sph if not tensor else np.eye(3)*sph
else:
sph = np.trace(x,axis1=1,axis2=2)/3.0
if not tensor:
return sph
else:
return np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),(x.shape[0],3,3)),sph)
def Mises_stress(sigma): def Mises_stress(sigma):

56
python/damask/table.py
View File

@ -22,7 +22,7 @@ class Table():
Additional, human-readable information. Additional, human-readable information.
""" """
self.comments = ['table.py v {}'.format(version)] if not comments else [c for c in comments] self.comments = [] if comments is None else [c for c in comments]
self.data = pd.DataFrame(data=data) self.data = pd.DataFrame(data=data)
self.shapes = shapes self.shapes = shapes
self.__label_condensed() self.__label_condensed()
@ -77,10 +77,9 @@ class Table():
if keyword == 'header': if keyword == 'header':
header = int(header) header = int(header)
else: else:
raise Exception raise TypeError
comments = ['table.py:from_ASCII v {}'.format(version)] comments = [f.readline()[:-1] for i in range(1,header)]
comments+= [f.readline()[:-1] for i in range(1,header)]
labels = f.readline().split() labels = f.readline().split()
shapes = {} shapes = {}
@ -138,9 +137,12 @@ class Table():
break break
data = np.loadtxt(content) data = np.loadtxt(content)
for c in range(data.shape[1]-10):
shapes['n/a_{}'.format(c+1)] = (1,)
return Table(data,shapes,comments) return Table(data,shapes,comments)
@property @property
def labels(self): def labels(self):
return list(self.shapes.keys()) return list(self.shapes.keys())
@ -248,17 +250,17 @@ class Table():
'' if info is None else ': {}'.format(info), '' if info is None else ': {}'.format(info),
)) ))
self.shapes = {(label if label is not label_old else label_new):self.shapes[label] for label in self.shapes} self.shapes = {(label if label != label_old else label_new):self.shapes[label] for label in self.shapes}
def sort_by(self,labels,ascending=True): def sort_by(self,labels,ascending=True):
""" """
Get column data. Sort table by values of given labels.
Parameters Parameters
---------- ----------
label : str or list label : str or list
Column labels. Column labels for sorting.
ascending : bool or list, optional ascending : bool or list, optional
Set sort order. Set sort order.
@ -269,6 +271,44 @@ class Table():
self.comments.append('sorted by [{}]'.format(', '.join(labels))) self.comments.append('sorted by [{}]'.format(', '.join(labels)))
def append(self,other):
"""
Append other table vertically (similar to numpy.vstack).
Requires matching labels/shapes and order.
Parameters
----------
other : Table
Table to append
"""
if self.shapes != other.shapes or not self.data.columns.equals(other.data.columns):
raise KeyError('Labels or shapes or order do not match')
else:
self.data = self.data.append(other.data,ignore_index=True)
def join(self,other):
"""
Append other table horizontally (similar to numpy.hstack).
Requires matching number of rows and no common labels.
Parameters
----------
other : Table
Table to join
"""
if set(self.shapes) & set(other.shapes) or self.data.shape[0] != other.data.shape[0]:
raise KeyError('Dublicated keys or row count mismatch')
else:
self.data = self.data.join(other.data)
for key in other.shapes:
self.shapes[key] = other.shapes[key]
def to_ASCII(self,fname): def to_ASCII(self,fname):
""" """
Store as plain text file. Store as plain text file.

6
python/tests/test_Rotation.py
View File

@ -45,17 +45,17 @@ class TestRotation:
def test_Homochoric(self,default): def test_Homochoric(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asRodrigues(), assert np.allclose(rot.asRodrigues(),
Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues()) Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues(),rtol=5.e-5)
def test_Cubochoric(self,default): def test_Cubochoric(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asHomochoric(), assert np.allclose(rot.asHomochoric(),
Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric()) Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric(),rtol=5.e-5)
def test_Quaternion(self,default): def test_Quaternion(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asCubochoric(), assert np.allclose(rot.asCubochoric(),
Rotation.fromQuaternion(rot.asQuaternion()).asCubochoric()) Rotation.fromQuaternion(rot.asQuaternion()).asCubochoric(),rtol=5.e-5)
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch']) @pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])

28
python/tests/test_Table.py
View File

@ -86,14 +86,42 @@ class TestTable:
def test_rename_gone(self,default): def test_rename_gone(self,default):
default.rename('v','V') default.rename('v','V')
assert 'v' not in default.shapes and 'v' not in default.data.columns
with pytest.raises(KeyError): with pytest.raises(KeyError):
default.get('v') default.get('v')
def test_delete(self,default): def test_delete(self,default):
default.delete('v') default.delete('v')
assert 'v' not in default.shapes and 'v' not in default.data.columns
with pytest.raises(KeyError): with pytest.raises(KeyError):
default.get('v') default.get('v')
def test_join(self):
x = np.random.random((5,13))
a = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
y = np.random.random((5,3))
b = Table(y,{'u':(3,)},['random test data'])
a.join(b)
assert np.array_equal(a.get('u'), b.get('u'))
def test_join_invalid(self):
x = np.random.random((5,13))
a = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
with pytest.raises(KeyError):
a.join(a)
def test_append(self):
x = np.random.random((5,13))
a = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
a.append(a)
assert np.array_equal(a.data[:5].to_numpy(),a.data[5:].to_numpy())
def test_append_invalid(self):
x = np.random.random((5,13))
a = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
b = Table(x,{'F':(3,3),'u':(3,),'s':(1,)},['random test data'])
with pytest.raises(KeyError):
a.append(b)
def test_invalid_initialization(self): def test_invalid_initialization(self):
x = np.random.random((5,10)) x = np.random.random((5,10))

4
python/tests/test_grid_filters.py
View File

@ -26,12 +26,12 @@ class TestGridFilters:
@pytest.mark.parametrize('mode',[('cell'),('node')]) @pytest.mark.parametrize('mode',[('cell'),('node')])
def test_grid_DNA(self,mode): def test_grid_DNA(self,mode):
"""Ensure that xx_coord0_2_DNA is the inverse of xx_coord0.""" """Ensure that xx_coord0_gridSizeOrigin is the inverse of xx_coord0."""
grid = np.random.randint(8,32,(3)) grid = np.random.randint(8,32,(3))
size = np.random.random(3) size = np.random.random(3)
origin = np.random.random(3) origin = np.random.random(3)
coord0 = eval('grid_filters.{}_coord0(grid,size,origin)'.format(mode)) # noqa coord0 = eval('grid_filters.{}_coord0(grid,size,origin)'.format(mode)) # noqa
_grid,_size,_origin = eval('grid_filters.{}_coord0_2_DNA(coord0.reshape((-1,3)))'.format(mode)) _grid,_size,_origin = eval('grid_filters.{}_coord0_gridSizeOrigin(coord0.reshape((-1,3)))'.format(mode))
assert np.allclose(grid,_grid) and np.allclose(size,_size) and np.allclose(origin,_origin) assert np.allclose(grid,_grid) and np.allclose(size,_size) and np.allclose(origin,_origin)
def test_displacement_fluct_equivalence(self): def test_displacement_fluct_equivalence(self):

54
python/tests/test_mechanics.py
View File

@ -30,8 +30,8 @@ class TestMechanics:
def test_vectorize_spherical_part(self): def test_vectorize_spherical_part(self):
x = np.random.random((self.n,3,3)) x = np.random.random((self.n,3,3))
assert np.allclose(mechanics.spherical_part(x)[self.c], assert np.allclose(mechanics.spherical_part(x,True)[self.c],
mechanics.spherical_part(x[self.c])) mechanics.spherical_part(x[self.c],True))
def test_vectorize_Mises_stress(self): def test_vectorize_Mises_stress(self):
@ -94,6 +94,15 @@ class TestMechanics:
assert np.allclose(mechanics.Cauchy(np.broadcast_to(np.eye(3),(self.n,3,3)),P), assert np.allclose(mechanics.Cauchy(np.broadcast_to(np.eye(3),(self.n,3,3)),P),
mechanics.symmetric(P)) mechanics.symmetric(P))
def test_polar_decomposition(self):
"""F = RU = VR."""
F = np.broadcast_to(np.eye(3),[self.n,3,3])*np.random.random((self.n,3,3))
R = mechanics.rotational_part(F)
V = mechanics.left_stretch(F)
U = mechanics.right_stretch(F)
assert np.allclose(np.matmul(R,U),
np.matmul(V,R))
def test_strain_tensor_no_rotation(self): def test_strain_tensor_no_rotation(self):
"""Ensure that left and right stretch give same results for no rotation.""" """Ensure that left and right stretch give same results for no rotation."""
@ -102,6 +111,12 @@ class TestMechanics:
assert np.allclose(mechanics.strain_tensor(F,'U',m), assert np.allclose(mechanics.strain_tensor(F,'U',m),
mechanics.strain_tensor(F,'V',m)) mechanics.strain_tensor(F,'V',m))
def test_strain_tensor_rotation_equivalence(self):
"""Ensure that left and right strain differ only by a rotation."""
F = np.broadcast_to(np.eye(3),[self.n,3,3]) + (np.random.random((self.n,3,3))*0.5 - 0.25)
m = np.random.random()*5.0-2.5
assert np.allclose(np.linalg.det(mechanics.strain_tensor(F,'U',m)),
np.linalg.det(mechanics.strain_tensor(F,'V',m)))
def test_strain_tensor_rotation(self): def test_strain_tensor_rotation(self):
"""Ensure that pure rotation results in no strain.""" """Ensure that pure rotation results in no strain."""
@ -111,15 +126,46 @@ class TestMechanics:
assert np.allclose(mechanics.strain_tensor(F,t,m), assert np.allclose(mechanics.strain_tensor(F,t,m),
0.0) 0.0)
def test_rotation_determinant(self):
"""
Ensure that the determinant of the rotational part is +- 1.
Should be +1, but random F might contain a reflection.
"""
x = np.random.random((self.n,3,3))
assert np.allclose(np.abs(np.linalg.det(mechanics.rotational_part(x))),
1.0)
def test_spherical_deviatoric_part(self): def test_spherical_deviatoric_part(self):
"""Ensure that full tensor is sum of spherical and deviatoric part.""" """Ensure that full tensor is sum of spherical and deviatoric part."""
x = np.random.random((self.n,3,3)) x = np.random.random((self.n,3,3))
sph = np.broadcast_to(np.eye(3),(self.n,3,3))\ sph = mechanics.spherical_part(x,True)
* np.repeat(mechanics.spherical_part(x),9).reshape(self.n,3,3)
assert np.allclose(sph + mechanics.deviatoric_part(x), assert np.allclose(sph + mechanics.deviatoric_part(x),
x) x)
def test_deviatoric_Mises(self):
"""Ensure that Mises equivalent stress depends only on deviatoric part."""
x = np.random.random((self.n,3,3))
full = mechanics.Mises_stress(x)
dev = mechanics.Mises_stress(mechanics.deviatoric_part(x))
assert np.allclose(full,
dev)
def test_spherical_mapping(self):
"""Ensure that mapping to tensor is correct."""
x = np.random.random((self.n,3,3))
tensor = mechanics.spherical_part(x,True)
scalar = mechanics.spherical_part(x)
assert np.allclose(np.linalg.det(tensor),
scalar**3.0)
def test_spherical_Mises(self):
"""Ensure that Mises equivalent strrain of spherical strain is 0."""
x = np.random.random((self.n,3,3))
sph = mechanics.spherical_part(x,True)
assert np.allclose(mechanics.Mises_strain(sph),
0.0)
def test_symmetric(self): def test_symmetric(self):
"""Ensure that a symmetric tensor is half of the sum of a tensor and its transpose.""" """Ensure that a symmetric tensor is half of the sum of a tensor and its transpose."""

2
src/CPFEM.f90
View File

@ -377,7 +377,7 @@ subroutine CPFEM_results(inc,time)
call constitutive_results call constitutive_results
call crystallite_results call crystallite_results
call homogenization_results call homogenization_results
call results_removeLink('current') ! ToDo: put this into closeJobFile call results_finalizeIncrement
call results_closeJobFile call results_closeJobFile
end subroutine CPFEM_results end subroutine CPFEM_results

3
src/CPFEM2.f90
View File

@ -17,7 +17,6 @@ module CPFEM2
use DAMASK_interface use DAMASK_interface
use results use results
use discretization use discretization
use HDF5
use HDF5_utilities use HDF5_utilities
use homogenization use homogenization
use constitutive use constitutive
@ -202,7 +201,7 @@ subroutine CPFEM_results(inc,time)
call crystallite_results call crystallite_results
call homogenization_results call homogenization_results
call discretization_results call discretization_results
call results_removeLink('current') ! ToDo: put this into closeJobFile? call results_finalizeIncrement
call results_closeJobFile call results_closeJobFile
end subroutine CPFEM_results end subroutine CPFEM_results

39
src/DAMASK_interface.f90
View File

@ -10,7 +10,7 @@
!> and working directory. !> and working directory.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#define GCC_MIN 6 #define GCC_MIN 6
#define INTEL_MIN 1600 #define INTEL_MIN 1700
#define PETSC_MAJOR 3 #define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 10 #define PETSC_MINOR_MIN 10
#define PETSC_MINOR_MAX 12 #define PETSC_MINOR_MAX 12
@ -269,10 +269,10 @@ subroutine DAMASK_interface_init
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg) write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg) write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
write(6,'(a,a)') ' Load case argument: ', trim(loadcaseArg) write(6,'(a,a)') ' Load case argument: ', trim(loadcaseArg)
write(6,'(a,a)') ' Working directory: ', trim(getCWD()) write(6,'(a,a)') ' Working directory: ', getCWD()
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile) write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile) write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName()) write(6,'(a,a)') ' Solver job name: ', getSolverJobName()
if (interface_restartInc > 0) & if (interface_restartInc > 0) &
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
@ -308,7 +308,7 @@ subroutine setWorkingDirectory(workingDirectoryArg)
workingDirectory = trim(rectifyPath(workingDirectory)) workingDirectory = trim(rectifyPath(workingDirectory))
error = setCWD(trim(workingDirectory)) error = setCWD(trim(workingDirectory))
if(error) then if(error) then
write(6,'(/,a)') ' ERROR: Working directory "'//trim(workingDirectory)//'" does not exist' write(6,'(/,a)') ' ERROR: Invalid Working directory: '//trim(workingDirectory)
call quit(1) call quit(1)
endif endif
@ -318,8 +318,9 @@ end subroutine setWorkingDirectory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solver job name (no extension) as combination of geometry and load case name !> @brief solver job name (no extension) as combination of geometry and load case name
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName() function getSolverJobName()
character(len=:), allocatable :: getSolverJobName
integer :: posExt,posSep integer :: posExt,posSep
posExt = scan(geometryFile,'.',back=.true.) posExt = scan(geometryFile,'.',back=.true.)
@ -330,7 +331,7 @@ character(len=1024) function getSolverJobName()
posExt = scan(loadCaseFile,'.',back=.true.) posExt = scan(loadCaseFile,'.',back=.true.)
posSep = scan(loadCaseFile,'/',back=.true.) posSep = scan(loadCaseFile,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//loadCaseFile(posSep+1:posExt-1) getSolverJobName = getSolverJobName//'_'//loadCaseFile(posSep+1:posExt-1)
end function getSolverJobName end function getSolverJobName
@ -338,15 +339,16 @@ end function getSolverJobName
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief basename of geometry file with extension from command line arguments !> @brief basename of geometry file with extension from command line arguments
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter) function getGeometryFile(geometryParameter)
character(len=1024), intent(in) :: geometryParameter character(len=:), allocatable :: getGeometryFile
logical :: file_exists character(len=*), intent(in) :: geometryParameter
external :: quit logical :: file_exists
external :: quit
getGeometryFile = trim(geometryParameter) getGeometryFile = trim(geometryParameter)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile) if (scan(getGeometryFile,'/') /= 1) getGeometryFile = getCWD()//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile) getGeometryFile = makeRelativePath(getCWD(), getGeometryFile)
inquire(file=trim(getGeometryFile), exist=file_exists) inquire(file=trim(getGeometryFile), exist=file_exists)
if (.not. file_exists) then if (.not. file_exists) then
@ -360,15 +362,16 @@ end function getGeometryFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief relative path of loadcase from command line arguments !> @brief relative path of loadcase from command line arguments
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter) function getLoadCaseFile(loadCaseParameter)
character(len=1024), intent(in) :: loadCaseParameter character(len=:), allocatable :: getLoadCaseFile
logical :: file_exists character(len=*), intent(in) :: loadCaseParameter
external :: quit logical :: file_exists
external :: quit
getLoadCaseFile = trim(loadCaseParameter) getLoadCaseFile = trim(loadCaseParameter)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile) if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = getCWD()//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile) getLoadCaseFile = makeRelativePath(getCWD(), getLoadCaseFile)
inquire(file=trim(getLoadCaseFile), exist=file_exists) inquire(file=trim(getLoadCaseFile), exist=file_exists)
if (.not. file_exists) then if (.not. file_exists) then

4
src/FEsolving.f90
View File

@ -46,10 +46,10 @@ subroutine FE_init
call IO_open_inputFile(FILEUNIT) call IO_open_inputFile(FILEUNIT)
rewind(FILEUNIT) rewind(FILEUNIT)
do do
read (FILEUNIT,'(a256)',END=100) line read (FILEUNIT,'(A)',END=100) line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
if(IO_lc(IO_stringValue(line,chunkPos,1)) == 'solver') then if(IO_lc(IO_stringValue(line,chunkPos,1)) == 'solver') then
read (FILEUNIT,'(a256)',END=100) line ! next line read (FILEUNIT,'(A)',END=100) line ! next line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
symmetricSolver = (IO_intValue(line,chunkPos,2) /= 1) symmetricSolver = (IO_intValue(line,chunkPos,2) /= 1)
endif endif

136
src/IO.f90
View File

@ -13,6 +13,8 @@ module IO
private private
character(len=*), parameter, public :: & character(len=*), parameter, public :: &
IO_EOF = '#EOF#' !< end of file string IO_EOF = '#EOF#' !< end of file string
character, parameter, public :: &
IO_EOL = new_line(' ') !< end of line str
character(len=*), parameter, private :: & character(len=*), parameter, private :: &
IO_DIVIDER = '───────────────────'//& IO_DIVIDER = '───────────────────'//&
'───────────────────'//& '───────────────────'//&
@ -21,9 +23,8 @@ module IO
public :: & public :: &
IO_init, & IO_init, &
IO_read_ASCII, & IO_read_ASCII, &
IO_open_file, & IO_open_file, & ! deprecated, use IO_read_ASCII
IO_open_jobFile_binary, & IO_open_jobFile_binary, &
IO_write_jobFile, &
IO_isBlank, & IO_isBlank, &
IO_getTag, & IO_getTag, &
IO_stringPos, & IO_stringPos, &
@ -43,15 +44,10 @@ module IO
IO_countDataLines IO_countDataLines
#elif defined(Marc4DAMASK) #elif defined(Marc4DAMASK)
IO_fixedNoEFloatValue, & IO_fixedNoEFloatValue, &
IO_fixedIntValue, & IO_fixedIntValue
IO_countNumericalDataLines
#endif #endif
#endif #endif
private :: &
IO_verifyFloatValue, &
IO_verifyIntValue
contains contains
@ -103,7 +99,7 @@ function IO_read_ASCII(fileName) result(fileContent)
! count lines to allocate string array ! count lines to allocate string array
myTotalLines = 1 myTotalLines = 1
do l=1, len(rawData) do l=1, len(rawData)
if (rawData(l:l) == new_line('')) myTotalLines = myTotalLines+1 if (rawData(l:l) == IO_EOL) myTotalLines = myTotalLines+1
enddo enddo
allocate(fileContent(myTotalLines)) allocate(fileContent(myTotalLines))
@ -113,7 +109,7 @@ function IO_read_ASCII(fileName) result(fileContent)
startPos = 1 startPos = 1
l = 1 l = 1
do while (l <= myTotalLines) do while (l <= myTotalLines)
endPos = merge(startPos + scan(rawData(startPos:),new_line('')) - 2,len(rawData),l /= myTotalLines) endPos = merge(startPos + scan(rawData(startPos:),IO_EOL) - 2,len(rawData),l /= myTotalLines)
if (endPos - startPos > pStringLen-1) then if (endPos - startPos > pStringLen-1) then
line = rawData(startPos:startPos+pStringLen-1) line = rawData(startPos:startPos+pStringLen-1)
if (.not. warned) then if (.not. warned) then
@ -248,7 +244,7 @@ subroutine IO_open_inputFile(fileUnit)
do do
read(unit2,'(A256)',END=220) line read(unit2,'(A)',END=220) line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
if (IO_lc(IO_StringValue(line,chunkPos,1))=='*include') then if (IO_lc(IO_StringValue(line,chunkPos,1))=='*include') then
@ -289,25 +285,6 @@ end subroutine IO_open_inputFile
#endif #endif
!--------------------------------------------------------------------------------------------------
!> @brief opens ASCII file to given unit for writing. File is named after solver job name plus
!! given extension and located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_write_jobFile(fileUnit,ext)
integer, intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext !< extension of file
integer :: myStat
character(len=1024) :: path
path = trim(getSolverJobName())//'.'//ext
open(fileUnit,status='replace',iostat=myStat,file=path)
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
end subroutine IO_write_jobFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief identifies strings without content !> @brief identifies strings without content
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -406,7 +383,7 @@ function IO_stringValue(string,chunkPos,myChunk,silent)
logical :: warn logical :: warn
if (present(silent)) then if (present(silent)) then
warn = silent warn = .not. silent
else else
warn = .false. warn = .false.
endif endif
@ -436,11 +413,10 @@ real(pReal) function IO_floatValue (string,chunkPos,myChunk)
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then
call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string)) call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
else valuePresent else valuePresent
IO_floatValue = & IO_floatValue = verifyFloatValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),&
IO_verifyFloatValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),& VALIDCHARACTERS,MYNAME)
VALIDCHARACTERS,MYNAME) endif valuePresent
endif valuePresent
end function IO_floatValue end function IO_floatValue
@ -461,7 +437,7 @@ integer function IO_intValue(string,chunkPos,myChunk)
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then
call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string)) call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
else valuePresent else valuePresent
IO_intValue = IO_verifyIntValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),& IO_intValue = verifyIntValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),&
VALIDCHARACTERS,MYNAME) VALIDCHARACTERS,MYNAME)
endif valuePresent endif valuePresent
@ -487,13 +463,13 @@ real(pReal) function IO_fixedNoEFloatValue (string,ends,myChunk)
pos_exp = scan(string(ends(myChunk)+1:ends(myChunk+1)),'+-',back=.true.) pos_exp = scan(string(ends(myChunk)+1:ends(myChunk+1)),'+-',back=.true.)
hasExponent: if (pos_exp > 1) then hasExponent: if (pos_exp > 1) then
base = IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk)+pos_exp-1))),& base = verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk)+pos_exp-1))),&
VALIDBASE,MYNAME//'(base): ') VALIDBASE,MYNAME//'(base): ')
expon = IO_verifyIntValue(trim(adjustl(string(ends(myChunk)+pos_exp:ends(myChunk+1)))),& expon = verifyIntValue(trim(adjustl(string(ends(myChunk)+pos_exp:ends(myChunk+1)))),&
VALIDEXP,MYNAME//'(exp): ') VALIDEXP,MYNAME//'(exp): ')
else hasExponent else hasExponent
base = IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk+1)))),& base = verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk+1)))),&
VALIDBASE,MYNAME//'(base): ') VALIDBASE,MYNAME//'(base): ')
expon = 0 expon = 0
endif hasExponent endif hasExponent
IO_fixedNoEFloatValue = base*10.0_pReal**real(expon,pReal) IO_fixedNoEFloatValue = base*10.0_pReal**real(expon,pReal)
@ -512,7 +488,7 @@ integer function IO_fixedIntValue(string,ends,myChunk)
character(len=*), parameter :: MYNAME = 'IO_fixedIntValue: ' character(len=*), parameter :: MYNAME = 'IO_fixedIntValue: '
character(len=*), parameter :: VALIDCHARACTERS = '0123456789+-' character(len=*), parameter :: VALIDCHARACTERS = '0123456789+-'
IO_fixedIntValue = IO_verifyIntValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk+1)))),& IO_fixedIntValue = verifyIntValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk+1)))),&
VALIDCHARACTERS,MYNAME) VALIDCHARACTERS,MYNAME)
end function IO_fixedIntValue end function IO_fixedIntValue
@ -552,8 +528,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
character(len=*), optional, intent(in) :: ext_msg character(len=*), optional, intent(in) :: ext_msg
external :: quit external :: quit
character(len=1024) :: msg character(len=pStringLen) :: msg
character(len=1024) :: formatString character(len=pStringLen) :: formatString
select case (error_ID) select case (error_ID)
@ -572,14 +548,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'could not read file:' msg = 'could not read file:'
case (103) case (103)
msg = 'could not assemble input files' msg = 'could not assemble input files'
case (104)
msg = '{input} recursion limit reached'
case (105)
msg = 'unknown output:'
case (106) case (106)
msg = 'working directory does not exist:' msg = 'working directory does not exist:'
case (107)
msg = 'line length exceeds limit of 256'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! lattice error messages ! lattice error messages
@ -799,8 +769,8 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
integer, optional, intent(in) :: el,ip,g integer, optional, intent(in) :: el,ip,g
character(len=*), optional, intent(in) :: ext_msg character(len=*), optional, intent(in) :: ext_msg
character(len=1024) :: msg character(len=pStringLen) :: msg
character(len=1024) :: formatString character(len=pStringLen) :: formatString
select case (warning_ID) select case (warning_ID)
case (1) case (1)
@ -946,38 +916,6 @@ end function IO_countDataLines
#endif #endif
#ifdef Marc4DAMASK
!--------------------------------------------------------------------------------------------------
!> @brief count lines containig data up to next *keyword
!--------------------------------------------------------------------------------------------------
integer function IO_countNumericalDataLines(fileUnit)
integer, intent(in) :: fileUnit !< file handle
integer, allocatable, dimension(:) :: chunkPos
character(len=pStringLen) :: line, &
tmp
IO_countNumericalDataLines = 0
line = ''
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
chunkPos = IO_stringPos(line)
tmp = IO_lc(IO_stringValue(line,chunkPos,1))
if (verify(trim(tmp),'0123456789') == 0) then ! numerical values
IO_countNumericalDataLines = IO_countNumericalDataLines + 1
else
exit
endif
enddo
backspace(fileUnit)
end function IO_countNumericalDataLines
#endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief count items in consecutive lines depending on lines !> @brief count items in consecutive lines depending on lines
!> @details Marc: ints concatenated by "c" as last char or range of values a "to" b !> @details Marc: ints concatenated by "c" as last char or range of values a "to" b
@ -1062,7 +1000,7 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
#if defined(Marc4DAMASK) #if defined(Marc4DAMASK)
do do
read(fileUnit,'(A256)',end=100) line read(fileUnit,'(A)',end=100) line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
if (chunkPos(1) < 1) then ! empty line if (chunkPos(1) < 1) then ! empty line
exit exit
@ -1103,14 +1041,14 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check if the element values in the elset are auto generated ! check if the element values in the elset are auto generated
backspace(fileUnit) backspace(fileUnit)
read(fileUnit,'(A256)',end=100) line read(fileUnit,'(A)',end=100) line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
do i = 1,chunkPos(1) do i = 1,chunkPos(1)
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'generate') rangeGeneration = .true. if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'generate') rangeGeneration = .true.
enddo enddo
do l = 1,c do l = 1,c
read(fileUnit,'(A256)',end=100) line read(fileUnit,'(A)',end=100) line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
if (verify(IO_stringValue(line,chunkPos,1),'0123456789') > 0) then ! a non-int, i.e. set names follow on this line if (verify(IO_stringValue(line,chunkPos,1),'0123456789') > 0) then ! a non-int, i.e. set names follow on this line
do i = 1,chunkPos(1) ! loop over set names in line do i = 1,chunkPos(1) ! loop over set names in line
@ -1148,34 +1086,34 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns verified integer value in given string !> @brief returns verified integer value in given string
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer function IO_verifyIntValue (string,validChars,myName) integer function verifyIntValue (string,validChars,myName)
character(len=*), intent(in) :: string, & !< string for conversion to int value. Must not contain spaces! character(len=*), intent(in) :: string, & !< string for conversion to int value. Must not contain spaces!
validChars, & !< valid characters in string validChars, & !< valid characters in string
myName !< name of caller function (for debugging) myName !< name of caller function (for debugging)
integer :: readStatus, invalidWhere integer :: readStatus, invalidWhere
IO_verifyIntValue = 0 verifyIntValue = 0
invalidWhere = verify(string,validChars) invalidWhere = verify(string,validChars)
if (invalidWhere == 0) then if (invalidWhere == 0) then
read(UNIT=string,iostat=readStatus,FMT=*) IO_verifyIntValue ! no offending chars found read(UNIT=string,iostat=readStatus,FMT=*) verifyIntValue ! no offending chars found
if (readStatus /= 0) & ! error during string to integer conversion if (readStatus /= 0) & ! error during string to integer conversion
call IO_warning(203,ext_msg=myName//'"'//string//'"') call IO_warning(203,ext_msg=myName//'"'//string//'"')
else else
call IO_warning(202,ext_msg=myName//'"'//string//'"') ! complain about offending characters call IO_warning(202,ext_msg=myName//'"'//string//'"') ! complain about offending characters
read(UNIT=string(1:invalidWhere-1),iostat=readStatus,FMT=*) IO_verifyIntValue ! interpret remaining string read(UNIT=string(1:invalidWhere-1),iostat=readStatus,FMT=*) verifyIntValue ! interpret remaining string
if (readStatus /= 0) & ! error during string to integer conversion if (readStatus /= 0) & ! error during string to integer conversion
call IO_warning(203,ext_msg=myName//'"'//string(1:invalidWhere-1)//'"') call IO_warning(203,ext_msg=myName//'"'//string(1:invalidWhere-1)//'"')
endif endif
end function IO_verifyIntValue end function verifyIntValue
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns verified float value in given string !> @brief returns verified float value in given string
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
real(pReal) function IO_verifyFloatValue (string,validChars,myName) real(pReal) function verifyFloatValue (string,validChars,myName)
character(len=*), intent(in) :: string, & !< string for conversion to int value. Must not contain spaces! character(len=*), intent(in) :: string, & !< string for conversion to int value. Must not contain spaces!
validChars, & !< valid characters in string validChars, & !< valid characters in string
@ -1183,20 +1121,20 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName)
integer :: readStatus, invalidWhere integer :: readStatus, invalidWhere
IO_verifyFloatValue = 0.0_pReal verifyFloatValue = 0.0_pReal
invalidWhere = verify(string,validChars) invalidWhere = verify(string,validChars)
if (invalidWhere == 0) then if (invalidWhere == 0) then
read(UNIT=string,iostat=readStatus,FMT=*) IO_verifyFloatValue ! no offending chars found read(UNIT=string,iostat=readStatus,FMT=*) verifyFloatValue ! no offending chars found
if (readStatus /= 0) & ! error during string to float conversion if (readStatus /= 0) & ! error during string to float conversion
call IO_warning(203,ext_msg=myName//'"'//string//'"') call IO_warning(203,ext_msg=myName//'"'//string//'"')
else else
call IO_warning(202,ext_msg=myName//'"'//string//'"') ! complain about offending characters call IO_warning(202,ext_msg=myName//'"'//string//'"') ! complain about offending characters
read(UNIT=string(1:invalidWhere-1),iostat=readStatus,FMT=*) IO_verifyFloatValue ! interpret remaining string read(UNIT=string(1:invalidWhere-1),iostat=readStatus,FMT=*) verifyFloatValue ! interpret remaining string
if (readStatus /= 0) & ! error during string to float conversion if (readStatus /= 0) & ! error during string to float conversion
call IO_warning(203,ext_msg=myName//'"'//string(1:invalidWhere-1)//'"') call IO_warning(203,ext_msg=myName//'"'//string(1:invalidWhere-1)//'"')
endif endif
end function IO_verifyFloatValue end function verifyFloatValue
end module IO end module IO

3
src/commercialFEM_fileList.f90
View File

@ -1,7 +1,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief all DAMASK files without solver !> @brief all DAMASK files without solver
!> @details List of files needed by MSC.Marc, Abaqus/Explicit, and Abaqus/Standard !> @details List of files needed by MSC.Marc and Abaqus/Standard
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#include "IO.f90" #include "IO.f90"
#include "numerics.f90" #include "numerics.f90"
@ -15,7 +15,6 @@
#include "rotations.f90" #include "rotations.f90"
#include "FEsolving.f90" #include "FEsolving.f90"
#include "element.f90" #include "element.f90"
#include "mesh_base.f90"
#include "HDF5_utilities.f90" #include "HDF5_utilities.f90"
#include "results.f90" #include "results.f90"
#include "geometry_plastic_nonlocal.f90" #include "geometry_plastic_nonlocal.f90"

5
src/constitutive.f90
View File

@ -11,7 +11,6 @@ module constitutive
use config use config
use material use material
use results use results
use HDF5_utilities
use lattice use lattice
use discretization use discretization
use plastic_none use plastic_none
@ -587,11 +586,11 @@ subroutine constitutive_results
character(len=pStringLen) :: group character(len=pStringLen) :: group
do p=1,size(config_name_phase) do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p)) group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call HDF5_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic' group = trim(group)//'/plastic'
call HDF5_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
select case(phase_plasticity(p)) select case(phase_plasticity(p))
case(PLASTICITY_ISOTROPIC_ID) case(PLASTICITY_ISOTROPIC_ID)

2
src/crystallite.f90
View File

@ -118,7 +118,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_init subroutine crystallite_init
logical, dimension(:,:), allocatable :: devNull logical, dimension(discretization_nIP,discretization_nElem) :: devNull
integer :: & integer :: &
c, & !< counter in integration point component loop c, & !< counter in integration point component loop
i, & !< counter in integration point loop i, & !< counter in integration point loop

22
src/element.f90
View File

@ -39,7 +39,7 @@ module element
integer, parameter, private :: & integer, parameter, private :: &
NELEMTYPE = 13 NELEMTYPE = 13
integer, dimension(NelemType), parameter, private :: NNODE = & integer, dimension(NELEMTYPE), parameter, private :: NNODE = &
[ & [ &
3, & ! 2D 3node 1ip 3, & ! 2D 3node 1ip
6, & ! 2D 6node 3ip 6, & ! 2D 6node 3ip
@ -57,7 +57,7 @@ module element
20 & ! 3D 20node 27ip 20 & ! 3D 20node 27ip
] !< number of nodes that constitute a specific type of element ] !< number of nodes that constitute a specific type of element
integer, dimension(NelemType), parameter, public :: GEOMTYPE = & integer, dimension(NELEMTYPE), parameter, public :: GEOMTYPE = &
[ & [ &
1, & 1, &
2, & 2, &
@ -74,8 +74,7 @@ module element
10 & 10 &
] !< geometry type of particular element type ] !< geometry type of particular element type
!integer, dimension(maxval(geomType)), parameter, private :: NCELLNODE = & ! Intel 16.0 complains integer, dimension(maxval(GEOMTYPE)), parameter, private :: NCELLNODE = &
integer, dimension(10), parameter, private :: NCELLNODE = &
[ & [ &
3, & 3, &
7, & 7, &
@ -89,8 +88,7 @@ module element
64 & 64 &
] !< number of cell nodes in a specific geometry type ] !< number of cell nodes in a specific geometry type
!integer, dimension(maxval(geomType)), parameter, private :: NIP = & ! Intel 16.0 complains integer, dimension(maxval(GEOMTYPE)), parameter, private :: NIP = &
integer, dimension(10), parameter, private :: NIP = &
[ & [ &
1, & 1, &
3, & 3, &
@ -104,8 +102,7 @@ module element
27 & 27 &
] !< number of IPs in a specific geometry type ] !< number of IPs in a specific geometry type
!integer, dimension(maxval(geomType)), parameter, private :: CELLTYPE = & ! Intel 16.0 complains integer, dimension(maxval(GEOMTYPE)), parameter, private :: CELLTYPE = &
integer, dimension(10), parameter, private :: CELLTYPE = &
[ & [ &
1, & ! 2D 3node 1, & ! 2D 3node
2, & ! 2D 4node 2, & ! 2D 4node
@ -119,8 +116,7 @@ module element
4 & ! 3D 8node 4 & ! 3D 8node
] !< cell type that is used by each geometry type ] !< cell type that is used by each geometry type
!integer, dimension(maxval(cellType)), parameter, private :: nIPNeighbor = & ! Intel 16.0 complains integer, dimension(maxval(CELLTYPE)), parameter, private :: NIPNEIGHBOR = &
integer, dimension(4), parameter, private :: NIPNEIGHBOR = &
[ & [ &
3, & ! 2D 3node 3, & ! 2D 3node
4, & ! 2D 4node 4, & ! 2D 4node
@ -128,8 +124,7 @@ module element
6 & ! 3D 8node 6 & ! 3D 8node
] !< number of ip neighbors / cell faces in a specific cell type ] !< number of ip neighbors / cell faces in a specific cell type
!integer, dimension(maxval(cellType)), parameter, private :: NCELLNODESPERCELLFACE = & ! Intel 16.0 complains integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELLFACE = &
integer, dimension(4), parameter, private :: NCELLNODEPERCELLFACE = &
[ & [ &
2, & ! 2D 3node 2, & ! 2D 3node
2, & ! 2D 4node 2, & ! 2D 4node
@ -137,8 +132,7 @@ module element
4 & ! 3D 8node 4 & ! 3D 8node
] !< number of cell nodes in a specific cell type ] !< number of cell nodes in a specific cell type
!integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELL = & ! Intel 16.0 complains integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELL = &
integer, dimension(4), parameter, private :: NCELLNODEPERCELL = &
[ & [ &
3, & ! 2D 3node 3, & ! 2D 3node
4, & ! 2D 4node 4, & ! 2D 4node

24
src/geometry_plastic_nonlocal.f90
View File

@ -10,32 +10,24 @@ module geometry_plastic_nonlocal
use results use results
implicit none implicit none
private public
integer, public, protected :: & integer, protected :: &
geometry_plastic_nonlocal_nIPneighbors geometry_plastic_nonlocal_nIPneighbors
integer, dimension(:,:,:,:), allocatable, public, protected :: & integer, dimension(:,:,:,:), allocatable, protected :: &
geometry_plastic_nonlocal_IPneighborhood !< 6 or less neighboring IPs as [element ID, IP ID, face ID that point to me] geometry_plastic_nonlocal_IPneighborhood !< 6 or less neighboring IPs as [element ID, IP ID, face ID that point to me]
real(pReal), dimension(:,:), allocatable, public, protected :: & real(pReal), dimension(:,:), allocatable, protected :: &
geometry_plastic_nonlocal_IPvolume0 !< volume associated with IP (initially!) geometry_plastic_nonlocal_IPvolume0 !< volume associated with IP (initially!)
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, protected :: &
geometry_plastic_nonlocal_IParea0 !< area of interface to neighboring IP (initially!) geometry_plastic_nonlocal_IParea0 !< area of interface to neighboring IP (initially!)
real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:,:), allocatable, protected :: &
geometry_plastic_nonlocal_IPareaNormal0 !< area normal of interface to neighboring IP (initially!) geometry_plastic_nonlocal_IPareaNormal0 !< area normal of interface to neighboring IP (initially!)
public :: &
geometry_plastic_nonlocal_setIPneighborhood, &
geometry_plastic_nonlocal_setIPvolume, &
geometry_plastic_nonlocal_setIParea, &
geometry_plastic_nonlocal_setIPareaNormal, &
geometry_plastic_nonlocal_results, &
geometry_plastic_nonlocal_disable
contains contains
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
@ -96,7 +88,7 @@ end subroutine geometry_plastic_nonlocal_setIPareaNormal
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief Frees memory used by variables only needed by plastic_nonlocal !> @brief Free memory used by variables only needed by plastic_nonlocal
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
subroutine geometry_plastic_nonlocal_disable subroutine geometry_plastic_nonlocal_disable
@ -116,7 +108,7 @@ end subroutine geometry_plastic_nonlocal_disable
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief Writes geometry data to results file !> @brief Write geometry data to results file
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
subroutine geometry_plastic_nonlocal_results subroutine geometry_plastic_nonlocal_results

7
src/grid/grid_damage_spectral.f90
View File

@ -15,7 +15,6 @@ module grid_damage_spectral
use mesh_grid use mesh_grid
use damage_nonlocal use damage_nonlocal
use numerics use numerics
use damage_nonlocal
implicit none implicit none
private private
@ -55,7 +54,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_damage_spectral_init subroutine grid_damage_spectral_init
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer :: i, j, k, cell integer :: i, j, k, cell
DM :: damage_grid DM :: damage_grid
Vec :: uBound, lBound Vec :: uBound, lBound
@ -79,8 +78,8 @@ subroutine grid_damage_spectral_init
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,damage_snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,damage_snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(damage_snes,'damage_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(damage_snes,'damage_',ierr);CHKERRQ(ierr)
localK = 0 localK = 0
localK(worldrank+1) = grid3 localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
call DMDACreate3D(PETSC_COMM_WORLD, & call DMDACreate3D(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary

30
src/grid/grid_mech_FEM.f90
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@ -7,22 +7,20 @@
module grid_mech_FEM module grid_mech_FEM
#include <petsc/finclude/petscsnes.h> #include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h> #include <petsc/finclude/petscdmda.h>
use DAMASK_interface
use HDF5_utilities
use PETScdmda use PETScdmda
use PETScsnes use PETScsnes
use prec use prec
use CPFEM2 use DAMASK_interface
use IO use HDF5_utilities
use debug use math
use spectral_utilities
use FEsolving use FEsolving
use numerics use numerics
use homogenization use homogenization
use DAMASK_interface
use spectral_utilities
use discretization use discretization
use mesh_grid use mesh_grid
use math use debug
implicit none implicit none
private private
@ -52,10 +50,10 @@ module grid_mech_FEM
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
F_aim = math_I3, & !< current prescribed deformation gradient F_aim = math_I3, & !< current prescribed deformation gradient
F_aim_lastIter = math_I3, & F_aim_lastIter = math_I3, &
F_aim_lastInc = math_I3, & !< previous average deformation gradient F_aim_lastInc = math_I3, & !< previous average deformation gradient
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=1024), private :: incInfo !< time and increment information character(len=pStringLen), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
@ -82,8 +80,8 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_init subroutine grid_mech_FEM_init
real(pReal) :: HGCoeff = 0e-2_pReal real(pReal) :: HGCoeff = 0.0e-2_pReal
PetscInt, dimension(:), allocatable :: localK PetscInt, dimension(0:worldsize-1) :: localK
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
real(pReal), dimension(4,8) :: & real(pReal), dimension(4,8) :: &
@ -96,7 +94,6 @@ subroutine grid_mech_FEM_init
1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, & 1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, &
1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8]) 1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer :: rank
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName character(len=pStringLen) :: fileName
real(pReal), dimension(3,3,3,3) :: devNull real(pReal), dimension(3,3,3,3) :: devNull
@ -123,10 +120,9 @@ subroutine grid_mech_FEM_init
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3 localK = 0
do rank = 1, worldsize localK(worldrank) = grid3
call MPI_Bcast(localK(rank),1,MPI_INTEGER,rank-1,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
enddo
call DMDACreate3d(PETSC_COMM_WORLD, & call DMDACreate3d(PETSC_COMM_WORLD, &
DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, & DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, &
DMDA_STENCIL_BOX, & DMDA_STENCIL_BOX, &

8
src/grid/grid_mech_spectral_basic.f90
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@ -15,13 +15,11 @@ module grid_mech_spectral_basic
use HDF5_utilities use HDF5_utilities
use math use math
use spectral_utilities use spectral_utilities
use IO
use FEsolving use FEsolving
use config use config
use numerics use numerics
use homogenization use homogenization
use mesh_grid use mesh_grid
use CPFEM2
use debug use debug
implicit none implicit none
@ -57,7 +55,7 @@ module grid_mech_spectral_basic
F_aim_lastInc = math_I3, & !< previous average deformation gradient F_aim_lastInc = math_I3, & !< previous average deformation gradient
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=1024), private :: incInfo !< time and increment information character(len=pStringLen), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
@ -284,7 +282,7 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess) F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
!-------------------------------------------------------------------------------------------------- !-----------------------------------------------------------------------------------------------
! calculate rate for aim ! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
F_aimDot = & F_aimDot = &
@ -364,7 +362,7 @@ subroutine grid_mech_spectral_basic_restartWrite
if (num%update_gamma) call utilities_saveReferenceStiffness if (num%update_gamma) call utilities_saveReferenceStiffness
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_basic_restartWrite end subroutine grid_mech_spectral_basic_restartWrite

10
src/grid/grid_mech_spectral_polarisation.f90
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@ -16,13 +16,11 @@ module grid_mech_spectral_polarisation
use math use math
use rotations use rotations
use spectral_utilities use spectral_utilities
use IO
use FEsolving use FEsolving
use config use config
use numerics use numerics
use homogenization use homogenization
use mesh_grid use mesh_grid
use CPFEM2
use debug use debug
implicit none implicit none
@ -61,7 +59,7 @@ module grid_mech_spectral_polarisation
F_av = 0.0_pReal, & !< average incompatible def grad field F_av = 0.0_pReal, & !< average incompatible def grad field
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=1024), private :: incInfo !< time and increment information character(len=pStringLen), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
@ -102,7 +100,7 @@ subroutine grid_mech_spectral_polarisation_init
FandF_tau, & ! overall pointer to solution data FandF_tau, & ! overall pointer to solution data
F, & ! specific (sub)pointer F, & ! specific (sub)pointer
F_tau ! specific (sub)pointer F_tau ! specific (sub)pointer
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=pStringLen) :: fileName character(len=pStringLen) :: fileName
@ -132,8 +130,8 @@ subroutine grid_mech_spectral_polarisation_init
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
localK = 0 localK = 0
localK(worldrank+1) = grid3 localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
call DMDACreate3d(PETSC_COMM_WORLD, & call DMDACreate3d(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary

8
src/grid/grid_thermal_spectral.f90
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@ -14,8 +14,8 @@ module grid_thermal_spectral
use spectral_utilities use spectral_utilities
use mesh_grid use mesh_grid
use thermal_conduction use thermal_conduction
use material
use numerics use numerics
use material
implicit none implicit none
private private
@ -55,7 +55,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_thermal_spectral_init subroutine grid_thermal_spectral_init
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer :: i, j, k, cell integer :: i, j, k, cell
DM :: thermal_grid DM :: thermal_grid
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: x_scal
@ -77,8 +77,8 @@ subroutine grid_thermal_spectral_init
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr) call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
localK = 0 localK = 0
localK(worldrank+1) = grid3 localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
call DMDACreate3D(PETSC_COMM_WORLD, & call DMDACreate3D(PETSC_COMM_WORLD, &
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary

2
src/grid/spectral_utilities.f90
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@ -700,7 +700,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
c_reduced, & !< reduced stiffness (depending on number of stress BC) c_reduced, & !< reduced stiffness (depending on number of stress BC)
sTimesC !< temp variable to check inversion sTimesC !< temp variable to check inversion
logical :: errmatinv logical :: errmatinv
character(len=1024):: formatString character(len=pStringLen):: formatString
mask_stressVector = reshape(transpose(mask_stress), [9]) mask_stressVector = reshape(transpose(mask_stress), [9])
size_reduced = count(mask_stressVector) size_reduced = count(mask_stressVector)

2
src/kinematics_cleavage_opening.f90
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@ -65,7 +65,7 @@ subroutine kinematics_cleavage_opening_init
integer :: maxNinstance,p,instance integer :: maxNinstance,p,instance
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'; flush(6)
maxNinstance = count(phase_kinematics == KINEMATICS_cleavage_opening_ID) maxNinstance = count(phase_kinematics == KINEMATICS_cleavage_opening_ID)
if (maxNinstance == 0) return if (maxNinstance == 0) return

60
src/kinematics_slipplane_opening.f90
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@ -51,7 +51,7 @@ subroutine kinematics_slipplane_opening_init
integer :: maxNinstance,p,instance integer :: maxNinstance,p,instance
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'; flush(6)
maxNinstance = count(phase_kinematics == KINEMATICS_slipplane_opening_ID) maxNinstance = count(phase_kinematics == KINEMATICS_slipplane_opening_ID)
if (maxNinstance == 0) return if (maxNinstance == 0) return
@ -134,51 +134,35 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
dLd_dTstar = 0.0_pReal dLd_dTstar = 0.0_pReal
do i = 1, prm%totalNslip do i = 1, prm%totalNslip
projection_d = math_outer(prm%slip_direction(1:3,i),prm%slip_normal(1:3,i)) projection_d = math_outer(prm%slip_direction(1:3,i), prm%slip_normal(1:3,i))
projection_t = math_outer(prm%slip_transverse(1:3,i),prm%slip_normal(1:3,i)) projection_t = math_outer(prm%slip_transverse(1:3,i),prm%slip_normal(1:3,i))
projection_n = math_outer(prm%slip_normal(1:3,i),prm%slip_normal(1:3,i)) projection_n = math_outer(prm%slip_normal(1:3,i), prm%slip_normal(1:3,i))
traction_d = math_mul33xx33(S,projection_d) traction_d = math_mul33xx33(S,projection_d)
traction_t = math_mul33xx33(S,projection_t) traction_t = math_mul33xx33(S,projection_t)
traction_n = math_mul33xx33(S,projection_n) traction_n = math_mul33xx33(S,projection_n)
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage
udotd = sign(1.0_pReal,traction_d)* & udotd = sign(1.0_pReal,traction_d)* prm%sdot0* ( abs(traction_d)/traction_crit &
prm%sdot0* & - abs(traction_d)/prm%critLoad(i))**prm%n
(abs(traction_d)/traction_crit - & udott = sign(1.0_pReal,traction_t)* prm%sdot0* ( abs(traction_t)/traction_crit &
abs(traction_d)/prm%critLoad(i))**prm%n - abs(traction_t)/prm%critLoad(i))**prm%n
if (abs(udotd) > tol_math_check) then udotn = prm%sdot0* ( max(0.0_pReal,traction_n)/traction_crit &
Ld = Ld + udotd*projection_d - max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n
dudotd_dt = udotd*prm%n/traction_d
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudotd_dt*projection_d(k,l)*projection_d(m,n)
endif
udott = sign(1.0_pReal,traction_t)* &
prm%sdot0* &
(abs(traction_t)/traction_crit - &
abs(traction_t)/prm%critLoad(i))**prm%n
if (abs(udott) > tol_math_check) then
Ld = Ld + udott*projection_t
dudott_dt = udott*prm%n/traction_t
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudott_dt*projection_t(k,l)*projection_t(m,n)
endif
udotn = & dudotd_dt = udotd*prm%n/traction_d
prm%sdot0* & dudott_dt = udott*prm%n/traction_t
(max(0.0_pReal,traction_n)/traction_crit - & dudotn_dt = udotn*prm%n/traction_n
max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n
if (abs(udotn) > tol_math_check) then forall (k=1:3,l=1:3,m=1:3,n=1:3) &
Ld = Ld + udotn*projection_n dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + dudotd_dt*projection_d(k,l)*projection_d(m,n) &
dudotn_dt = udotn*prm%n/traction_n + dudott_dt*projection_t(k,l)*projection_t(m,n) &
forall (k=1:3,l=1:3,m=1:3,n=1:3) & + dudotn_dt*projection_n(k,l)*projection_n(m,n)
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudotn_dt*projection_n(k,l)*projection_n(m,n) Ld = Ld + udotd*projection_d &
endif + udott*projection_t &
+ udotn*projection_n
enddo enddo
end associate end associate

2
src/kinematics_thermal_expansion.f90
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@ -42,7 +42,7 @@ subroutine kinematics_thermal_expansion_init
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
temp temp
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_kinematics == KINEMATICS_thermal_expansion_ID) Ninstance = count(phase_kinematics == KINEMATICS_thermal_expansion_ID)

61
src/lattice.f90
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@ -371,7 +371,7 @@ module lattice
1,-1, 1, -2,-1, 1, & 1,-1, 1, -2,-1, 1, &
-1, 1, 1, -1,-2, 1, & -1, 1, 1, -1,-2, 1, &
1, 1, 1, 1,-2, 1 & 1, 1, 1, 1,-2, 1 &
],pReal),[ 3 + 3,LATTICE_BCT_NSLIP]) !< slip systems for bct sorted by Bieler ],pReal),shape(LATTICE_BCT_SYSTEMSLIP)) !< slip systems for bct sorted by Bieler
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! isotropic ! isotropic
@ -387,7 +387,7 @@ module lattice
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, & 0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 & 1, 0, 0, 0, 0, 1 &
],pReal),[ 3 + 3,LATTICE_ISO_NCLEAVAGE]) ],pReal),shape(LATTICE_ISO_SYSTEMCLEAVAGE))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -404,7 +404,7 @@ module lattice
0, 1, 0, 1, 0, 0, & 0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, & 0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 & 1, 0, 0, 0, 0, 1 &
],pReal),[ 3 + 3,LATTICE_ORT_NCLEAVAGE]) ],pReal),shape(LATTICE_ORT_SYSTEMCLEAVAGE))
@ -483,21 +483,22 @@ module lattice
lattice_slip_normal, & lattice_slip_normal, &
lattice_slip_direction, & lattice_slip_direction, &
lattice_slip_transverse, & lattice_slip_transverse, &
lattice_labels_slip lattice_labels_slip, &
lattice_labels_twin
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Module initialization !> @brief Module initialization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_init subroutine lattice_init
integer :: Nphases integer :: Nphases, p
character(len=pStringLen) :: & character(len=pStringLen) :: &
tag = '' tag = ''
integer :: i,p real(pReal) :: CoverA
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
temp, & temp
CoverA !< c/a ratio for low symmetry type lattice
write(6,'(/,a)') ' <<<+- lattice init -+>>>' write(6,'(/,a)') ' <<<+- lattice init -+>>>'
@ -515,15 +516,13 @@ subroutine lattice_init
allocate(lattice_specificHeat ( Nphases), source=0.0_pReal) allocate(lattice_specificHeat ( Nphases), source=0.0_pReal)
allocate(lattice_referenceTemperature ( Nphases), source=300.0_pReal) allocate(lattice_referenceTemperature ( Nphases), source=300.0_pReal)
allocate(lattice_mu(Nphases), source=0.0_pReal) allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal) allocate(lattice_nu(Nphases), source=0.0_pReal)
allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal) allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal)
allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0) allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0)
allocate(CoverA(Nphases),source=0.0_pReal)
do p = 1, size(config_phase) do p = 1, size(config_phase)
tag = config_phase(p)%getString('lattice_structure') tag = config_phase(p)%getString('lattice_structure')
select case(trim(tag(1:3))) select case(trim(tag(1:3)))
@ -553,7 +552,7 @@ subroutine lattice_init
lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal) lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal)
CoverA(p) = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal) CoverA = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal) lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal)
lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal) lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal)
@ -573,14 +572,12 @@ subroutine lattice_init
lattice_DamageDiffusion33(2,2,p) = config_phase(p)%getFloat( 'damage_diffusion22',defaultVal=0.0_pReal) lattice_DamageDiffusion33(2,2,p) = config_phase(p)%getFloat( 'damage_diffusion22',defaultVal=0.0_pReal)
lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal) lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal) lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
enddo
do i = 1,Nphases if ((CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) &
if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) & .and. lattice_structure(p) == LATTICE_hex_ID) call IO_error(131,el=p) ! checking physical significance of c/a
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(131,el=i) ! checking physical significance of c/a if ((CoverA > 2.0_pReal) &
if ((CoverA(i) > 2.0_pReal) & .and. lattice_structure(p) == LATTICE_bct_ID) call IO_error(131,el=p) ! checking physical significance of c/a
.and. lattice_structure(i) == LATTICE_bct_ID) call IO_error(131,el=i) ! checking physical significance of c/a call lattice_initializeStructure(p, CoverA)
call lattice_initializeStructure(i, CoverA(i))
enddo enddo
end subroutine lattice_init end subroutine lattice_init
@ -1955,7 +1952,7 @@ function lattice_labels_slip(Nslip,structure) result(labels)
if (any(Nslip < 0)) & if (any(Nslip < 0)) &
call IO_error(144,ext_msg='Nslip '//trim(structure)) call IO_error(144,ext_msg='Nslip '//trim(structure))
labels = getLabels(Nslip,NslipMax,slipSystems,structure) labels = getLabels(Nslip,NslipMax,slipSystems)
end function lattice_labels_slip end function lattice_labels_slip
@ -1996,7 +1993,7 @@ function lattice_labels_twin(Ntwin,structure) result(labels)
if (any(Ntwin < 0)) & if (any(Ntwin < 0)) &
call IO_error(144,ext_msg='Ntwin '//trim(structure)) call IO_error(144,ext_msg='Ntwin '//trim(structure))
labels = getLabels(Ntwin,NtwinMax,twinSystems,structure) labels = getLabels(Ntwin,NtwinMax,twinSystems)
end function lattice_labels_twin end function lattice_labels_twin
@ -2119,8 +2116,8 @@ end function buildInteraction
function buildCoordinateSystem(active,potential,system,structure,cOverA) function buildCoordinateSystem(active,potential,system,structure,cOverA)
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
active, & active, & !< # of active systems per family
potential potential !< # of potential systems per family
real(pReal), dimension(:,:), intent(in) :: & real(pReal), dimension(:,:), intent(in) :: &
system system
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
@ -2311,14 +2308,13 @@ end subroutine buildTransformationSystem
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief select active systems as strings !> @brief select active systems as strings
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function getlabels(active,potential,system,structure) result(labels) function getlabels(active,potential,system) result(labels)
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
active, & active, & !< # of active systems per family
potential potential !< # of potential systems per family
real(pReal), dimension(:,:), intent(in) :: & real(pReal), dimension(:,:), intent(in) :: &
system system
character(len=*), intent(in) :: structure !< lattice structure
character(len=:), dimension(:), allocatable :: labels character(len=:), dimension(:), allocatable :: labels
character(len=:), allocatable :: label character(len=:), allocatable :: label
@ -2340,15 +2336,16 @@ function getlabels(active,potential,system,structure) result(labels)
p = sum(potential(1:f-1))+s p = sum(potential(1:f-1))+s
i = 1 i = 1
label(i:i) = merge('[','<',structure(1:3) /= 'bct') label(i:i) = '['
direction: do j = 1, size(system,1)/2 direction: do j = 1, size(system,1)/2
write(label(i+1:i+2),"(I2.1)") int(system(j,p)) write(label(i+1:i+2),"(I2.1)") int(system(j,p))
label(i+3:i+3) = ' ' label(i+3:i+3) = ' '
i = i + 3 i = i + 3
enddo direction enddo direction
label(i:i) = ']' label(i:i) = ']'
i = i +1 i = i +1
label(i:i) = merge('(','{',structure(1:3) /= 'bct') label(i:i) = '('
normal: do j = size(system,1)/2+1, size(system,1) normal: do j = size(system,1)/2+1, size(system,1)
write(label(i+1:i+2),"(I2.1)") int(system(j,p)) write(label(i+1:i+2),"(I2.1)") int(system(j,p))
label(i+3:i+3) = ' ' label(i+3:i+3) = ' '

42
src/math.f90
View File

@ -398,22 +398,22 @@ pure function math_exp33(A,n)
real(pReal), dimension(3,3), intent(in) :: A real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B, math_exp33 real(pReal), dimension(3,3) :: B, math_exp33
real(pReal) :: invFac real(pReal) :: invFac
integer :: order integer :: n_
B = math_I3 ! init
invFac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2
if (present(n)) then if (present(n)) then
order = n n_ = n
else else
order = 5 n_ = 5
endif endif
do i = 1, order invFac = 1.0_pReal ! 0!
invFac = invFac/real(i,pReal) ! invfac = 1/i! B = math_I3
math_exp33 = math_I3 ! A^0 = I
do i = 1, n_
invFac = invFac/real(i,pReal) ! invfac = 1/(i!)
B = matmul(B,A) B = matmul(B,A)
math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/i! math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/(i!)
enddo enddo
end function math_exp33 end function math_exp33
@ -489,8 +489,8 @@ function math_invSym3333(A)
real(pReal), dimension(6*(64+2)) :: work real(pReal), dimension(6*(64+2)) :: work
logical :: error logical :: error
external :: & external :: &
dgetrf, & dgetrf, &
dgetri dgetri
temp66 = math_sym3333to66(A) temp66 = math_sym3333to66(A)
call dgetrf(6,6,temp66,6,ipiv6,ierr) call dgetrf(6,6,temp66,6,ipiv6,ierr)
@ -519,8 +519,8 @@ subroutine math_invert(InvA, error, A)
real(pReal), dimension(size(A,1)*(64+2)) :: work real(pReal), dimension(size(A,1)*(64+2)) :: work
integer :: ierr integer :: ierr
external :: & external :: &
dgetrf, & dgetrf, &
dgetri dgetri
invA = A invA = A
call dgetrf(size(A,1),size(A,1),invA,size(A,1),ipiv,ierr) call dgetrf(size(A,1),size(A,1),invA,size(A,1),ipiv,ierr)
@ -882,16 +882,20 @@ real(pReal) function math_sampleGaussVar(meanvalue, stddev, width)
real(pReal), intent(in), optional :: width ! width of considered values as multiples of standard deviation real(pReal), intent(in), optional :: width ! width of considered values as multiples of standard deviation
real(pReal), dimension(2) :: rnd ! random numbers real(pReal), dimension(2) :: rnd ! random numbers
real(pReal) :: scatter, & ! normalized scatter around meanvalue real(pReal) :: scatter, & ! normalized scatter around meanvalue
myWidth width_
if (abs(stddev) < tol_math_check) then if (abs(stddev) < tol_math_check) then
math_sampleGaussVar = meanvalue math_sampleGaussVar = meanvalue
else else
myWidth = merge(width,3.0_pReal,present(width)) ! use +-3*sigma as default value for scatter if not given if (present(width)) then
width_ = width
else
width_ = 3.0_pReal ! use +-3*sigma as default scatter
endif
do do
call random_number(rnd) call random_number(rnd)
scatter = myWidth * (2.0_pReal * rnd(1) - 1.0_pReal) scatter = width_ * (2.0_pReal * rnd(1) - 1.0_pReal)
if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit ! test if scattered value is drawn if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit ! test if scattered value is drawn
enddo enddo

33
src/mesh_FEM.f90
View File

@ -20,7 +20,6 @@ module mesh
use FEsolving use FEsolving
use FEM_Zoo use FEM_Zoo
use prec use prec
use mesh_base
implicit none implicit none
private private
@ -53,18 +52,6 @@ module mesh
PetscInt, dimension(:), allocatable, public, protected :: & PetscInt, dimension(:), allocatable, public, protected :: &
mesh_boundaries mesh_boundaries
type, public, extends(tMesh) :: tMesh_FEM
contains
procedure, pass(self) :: tMesh_FEM_init
generic, public :: init => tMesh_FEM_init
end type tMesh_FEM
type(tMesh_FEM), public, protected :: theMesh
public :: & public :: &
mesh_init, & mesh_init, &
mesh_FEM_build_ipVolumes, & mesh_FEM_build_ipVolumes, &
@ -72,24 +59,6 @@ module mesh
contains contains
subroutine tMesh_FEM_init(self,dimen,order,nodes)
integer, intent(in) :: dimen
integer, intent(in) :: order
real(pReal), intent(in), dimension(:,:) :: nodes
class(tMesh_FEM) :: self
if (dimen == 2) then
if (order == 1) call self%tMesh%init('mesh',1,nodes)
if (order == 2) call self%tMesh%init('mesh',2,nodes)
elseif(dimen == 3) then
if (order == 1) call self%tMesh%init('mesh',6,nodes)
if (order == 2) call self%tMesh%init('mesh',8,nodes)
endif
end subroutine tMesh_FEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief initializes the mesh by calling all necessary private routines the mesh module !> @brief initializes the mesh by calling all necessary private routines the mesh module
@ -217,8 +186,6 @@ subroutine mesh_init
forall (j = 1:mesh_NcpElems) FEsolving_execIP(2,j) = FE_Nips(FE_geomtype(mesh_element(2,j))) ! ...up to own IP count for each element forall (j = 1:mesh_NcpElems) FEsolving_execIP(2,j) = FE_Nips(FE_geomtype(mesh_element(2,j))) ! ...up to own IP count for each element
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal) allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
call theMesh%init(dimplex,integrationOrder,mesh_node0)
call theMesh%setNelems(mesh_NcpElems)
call discretization_init(mesh_element(3,:),mesh_element(4,:),& call discretization_init(mesh_element(3,:),mesh_element(4,:),&
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), & reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &

1
src/mesh_abaqus.f90
View File

@ -7,7 +7,6 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module mesh module mesh
use prec use prec
use mesh_base
use geometry_plastic_nonlocal use geometry_plastic_nonlocal
use discretization use discretization
use math use math

74
src/mesh_base.f90
View File

@ -1,74 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Koords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Sets up the mesh for the solvers MSC.Marc,FEM, Abaqus and the spectral solver
!--------------------------------------------------------------------------------------------------
module mesh_base
use prec
use element
implicit none
!---------------------------------------------------------------------------------------------------
!> Properties of a whole mesh (consisting of one type of elements)
!---------------------------------------------------------------------------------------------------
type, public :: tMesh
type(tElement) :: &
elem
real(pReal), dimension(:,:), allocatable, public :: &
ipVolume, & !< volume associated with each IP (initially!)
node_0, & !< node x,y,z coordinates (initially)
node !< node x,y,z coordinates (deformed)
integer(pInt), dimension(:,:), allocatable, public :: &
cellnodeParent !< cellnode's parent element ID, cellnode's intra-element ID
character(pStringLen) :: type = "n/a"
integer(pInt) :: &
Nnodes, & !< total number of nodes in mesh
Nelems = -1_pInt, &
elemType, &
Ncells, &
nIPneighbors, &
NcellNodes
integer(pInt), dimension(:,:), allocatable, public :: &
connectivity
contains
procedure, pass(self) :: tMesh_base_init
procedure :: setNelems => tMesh_base_setNelems ! not needed once we compute the cells from the connectivity
generic, public :: init => tMesh_base_init
end type tMesh
contains
subroutine tMesh_base_init(self,meshType,elemType,nodes)
class(tMesh) :: self
character(len=*), intent(in) :: meshType
integer(pInt), intent(in) :: elemType
real(pReal), dimension(:,:), intent(in) :: nodes
write(6,'(/,a)') ' <<<+- mesh_base_init -+>>>'
write(6,*)' mesh type ',meshType
write(6,*)' # node ',size(nodes,2)
self%type = meshType
call self%elem%init(elemType)
self%node_0 = nodes
self%nNodes = size(nodes,2)
end subroutine tMesh_base_init
subroutine tMesh_base_setNelems(self,Nelems)
class(tMesh) :: self
integer(pInt), intent(in) :: Nelems
self%Nelems = Nelems
end subroutine tMesh_base_setNelems
end module mesh_base

6
src/mesh_grid.f90
View File

@ -173,7 +173,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! get header length ! get header length
endPos = index(rawData,new_line('')) endPos = index(rawData,new_line(''))
if(endPos <= index(rawData,'head')) then if(endPos <= index(rawData,'head')) then ! ToDo: Should be 'header'
startPos = len(rawData) startPos = len(rawData)
call IO_error(error_ID=841, ext_msg='readGeom') call IO_error(error_ID=841, ext_msg='readGeom')
else else
@ -277,13 +277,13 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
compression: if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'of') then compression: if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'of') then
c = IO_intValue(line,chunkPos,1) c = IO_intValue(line,chunkPos,1)
microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,3),i = 1,IO_intValue(line,chunkPos,1))] microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,3),i = 1,IO_intValue(line,chunkPos,1))]
else if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'to') then compression else if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'to') then compression
c = abs(IO_intValue(line,chunkPos,3) - IO_intValue(line,chunkPos,1)) + 1 c = abs(IO_intValue(line,chunkPos,3) - IO_intValue(line,chunkPos,1)) + 1
o = merge(+1, -1, IO_intValue(line,chunkPos,3) > IO_intValue(line,chunkPos,1)) o = merge(+1, -1, IO_intValue(line,chunkPos,3) > IO_intValue(line,chunkPos,1))
microstructure(e:e+c-1) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)] microstructure(e:e+c-1) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)]
else compression else compression
c = chunkPos(1) c = chunkPos(1)
microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)] microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
endif compression endif compression
endif noCompression endif noCompression

16
src/mesh_marc.f90
View File

@ -9,7 +9,6 @@ module mesh
use IO use IO
use prec use prec
use math use math
use mesh_base
use DAMASK_interface use DAMASK_interface
use IO use IO
use debug use debug
@ -37,12 +36,6 @@ module mesh
mesh_mapFEtoCPelem, & !< [sorted FEid, corresponding CPid] mesh_mapFEtoCPelem, & !< [sorted FEid, corresponding CPid]
mesh_mapFEtoCPnode !< [sorted FEid, corresponding CPid] mesh_mapFEtoCPnode !< [sorted FEid, corresponding CPid]
!--------------------------------------------------------------------------------------------------
! DEPRECATED
real(pReal), dimension(:,:,:), allocatable, public :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
!--------------------------------------------------------------------------------------------------
public :: & public :: &
mesh_init, & mesh_init, &
mesh_FEasCP mesh_FEasCP
@ -97,8 +90,6 @@ subroutine mesh_init(ip,el)
calcMode(ip,mesh_FEasCP('elem',el)) = .true. ! first ip,el needs to be already pingponged to "calc" calcMode(ip,mesh_FEasCP('elem',el)) = .true. ! first ip,el needs to be already pingponged to "calc"
allocate(mesh_ipCoordinates(3,elem%nIPs,nElems),source=0.0_pReal) ! deprecated
allocate(cellNodeDefinition(elem%nNodes-1)) allocate(cellNodeDefinition(elem%nNodes-1))
allocate(connectivity_cell(elem%NcellNodesPerCell,elem%nIPs,nElems)) allocate(connectivity_cell(elem%NcellNodesPerCell,elem%nIPs,nElems))
call buildCells(connectivity_cell,cellNodeDefinition,& call buildCells(connectivity_cell,cellNodeDefinition,&
@ -497,8 +488,7 @@ subroutine inputRead_mapNodes(fileContent)
chunkPos = IO_stringPos(fileContent(l)) chunkPos = IO_stringPos(fileContent(l))
if( IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates' ) then if( IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates' ) then
do i = 1,size(mesh_mapFEtoCPnode,2) do i = 1,size(mesh_mapFEtoCPnode,2)
mesh_mapFEtoCPnode(1,i) = IO_fixedIntValue (fileContent(l+1+i),[0,10],1) mesh_mapFEtoCPnode(1:2,i) = [IO_fixedIntValue (fileContent(l+1+i),[0,10],1),i] ! ToDo: use IO_intValue
mesh_mapFEtoCPnode(2,i) = i
enddo enddo
exit exit
endif endif
@ -529,9 +519,9 @@ subroutine inputRead_elemNodes(nodes, &
chunkPos = IO_stringPos(fileContent(l)) chunkPos = IO_stringPos(fileContent(l))
if( IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates' ) then if( IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates' ) then
do i=1,nNode do i=1,nNode
m = mesh_FEasCP('node',IO_fixedIntValue(fileContent(l+1+i),node_ends,1)) m = mesh_FEasCP('node',IO_fixedIntValue(fileContent(l+1+i),node_ends,1)) !ToDo: use IO_intValue
do j = 1,3 do j = 1,3
nodes(j,m) = mesh_unitlength * IO_fixedNoEFloatValue(fileContent(l+1+i),node_ends,j+1) nodes(j,m) = mesh_unitlength * IO_fixedNoEFloatValue(fileContent(l+1+i),node_ends,j+1) !ToDo: use IO_floatValue
enddo enddo
enddo enddo
exit exit

9
src/prec.f90
View File

@ -79,9 +79,12 @@ module prec
real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0. real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0.
real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number
integer, dimension(0), parameter, public :: emptyIntArray = [integer::] integer, dimension(0), parameter, public :: &
real(pReal), dimension(0), parameter, public :: emptyRealArray = [real(pReal)::] emptyIntArray = [integer::]
character(len=pStringLen), dimension(0), parameter, public :: emptyStringArray = [character(len=pStringLen)::] real(pReal), dimension(0), parameter, public :: &
emptyRealArray = [real(pReal)::]
character(len=pStringLen), dimension(0), parameter, public :: &
emptyStringArray = [character(len=pStringLen)::]
private :: & private :: &
unitTest unitTest

5
src/quit.f90
View File

@ -2,8 +2,7 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief quit subroutine !> @brief quit subroutine
!> @details exits the program and reports current time and duration. Exit code 0 signals !> @details exits the program and reports current time and duration. Exit code 0 signals
!> everything is fine. Exit code 1 signals an error, message according to IO_error. Exit code !> everything is fine. Exit code 1 signals an error, message according to IO_error.
!> 2 signals no severe problems, but some increments did not converge
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine quit(stop_id) subroutine quit(stop_id)
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
@ -11,7 +10,7 @@ subroutine quit(stop_id)
#ifdef _OPENMP #ifdef _OPENMP
use MPI use MPI
#endif #endif
use hdf5 use HDF5
implicit none implicit none
integer, intent(in) :: stop_id integer, intent(in) :: stop_id

87
src/results.f90
View File

@ -47,6 +47,7 @@ module results
results_openJobFile, & results_openJobFile, &
results_closeJobFile, & results_closeJobFile, &
results_addIncrement, & results_addIncrement, &
results_finalizeIncrement, &
results_addGroup, & results_addGroup, &
results_openGroup, & results_openGroup, &
results_closeGroup, & results_closeGroup, &
@ -68,14 +69,14 @@ subroutine results_init
write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5' write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5'
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.) resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
call HDF5_addAttribute(resultsFile,'DADF5_version_major',0) call results_addAttribute('DADF5_version_major',0)
call HDF5_addAttribute(resultsFile,'DADF5_version_minor',5) call results_addAttribute('DADF5_version_minor',5)
call HDF5_addAttribute(resultsFile,'DAMASK_version',DAMASKVERSION) call results_addAttribute('DAMASK_version',DAMASKVERSION)
call get_command(commandLine) call get_command(commandLine)
call HDF5_addAttribute(resultsFile,'call',trim(commandLine)) call results_addAttribute('call',trim(commandLine))
call HDF5_closeGroup(results_addGroup('mapping')) call results_closeGroup(results_addGroup('mapping'))
call HDF5_closeGroup(results_addGroup('mapping/cellResults')) call results_closeGroup(results_addGroup('mapping/cellResults'))
call HDF5_closeFile(resultsFile) call results_closeJobFile
end subroutine results_init end subroutine results_init
@ -110,16 +111,26 @@ subroutine results_addIncrement(inc,time)
character(len=pStringLen) :: incChar character(len=pStringLen) :: incChar
write(incChar,'(i10)') inc write(incChar,'(i10)') inc
call HDF5_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar))))) call results_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar)))))
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current') call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
call HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar)))) call results_addAttribute('time/s',time,trim('inc'//trim(adjustl(incChar))))
call results_closeGroup(results_addGroup('current/constituent'))
call HDF5_closeGroup(results_addGroup('current/constituent')) call results_closeGroup(results_addGroup('current/materialpoint'))
call HDF5_closeGroup(results_addGroup('current/materialpoint'))
end subroutine results_addIncrement end subroutine results_addIncrement
!--------------------------------------------------------------------------------------------------
!> @brief finalize increment
!> @details remove soft link
!--------------------------------------------------------------------------------------------------
subroutine results_finalizeIncrement
call results_removeLink('current')
end subroutine results_finalizeIncrement
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief open a group from the results file !> @brief open a group from the results file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -173,9 +184,14 @@ end subroutine results_setLink
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str(attrLabel,attrValue,path) subroutine results_addAttribute_str(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue, path character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_str end subroutine results_addAttribute_str
@ -185,10 +201,15 @@ end subroutine results_addAttribute_str
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int(attrLabel,attrValue,path) subroutine results_addAttribute_int(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path character(len=*), intent(in) :: attrLabel
integer, intent(in) :: attrValue integer, intent(in) :: attrValue
character(len=*), intent(in), optional :: path
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_int end subroutine results_addAttribute_int
@ -198,10 +219,15 @@ end subroutine results_addAttribute_int
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real(attrLabel,attrValue,path) subroutine results_addAttribute_real(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path character(len=*), intent(in) :: attrLabel
real(pReal), intent(in) :: attrValue real(pReal), intent(in) :: attrValue
character(len=*), intent(in), optional :: path
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_real end subroutine results_addAttribute_real
@ -211,10 +237,15 @@ end subroutine results_addAttribute_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int_array(attrLabel,attrValue,path) subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path character(len=*), intent(in) :: attrLabel
integer, intent(in), dimension(:) :: attrValue integer, intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_int_array end subroutine results_addAttribute_int_array
@ -224,10 +255,15 @@ end subroutine results_addAttribute_int_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real_array(attrLabel,attrValue,path) subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path character(len=*), intent(in) :: attrLabel
real(pReal), intent(in), dimension(:) :: attrValue real(pReal), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_real_array end subroutine results_addAttribute_real_array
@ -720,7 +756,6 @@ end subroutine results_mapping_materialpoint
!!> @brief adds the backward mapping from spatial position and constituent ID to results !!> @brief adds the backward mapping from spatial position and constituent ID to results
!!-------------------------------------------------------------------------------------------------- !!--------------------------------------------------------------------------------------------------
!subroutine HDF5_backwardMappingPhase(material_phase,phasememberat,phase_name,dataspace_size,mpiOffset,mpiOffset_phase) !subroutine HDF5_backwardMappingPhase(material_phase,phasememberat,phase_name,dataspace_size,mpiOffset,mpiOffset_phase)
! use hdf5
! integer(pInt), intent(in), dimension(:,:,:) :: material_phase, phasememberat ! integer(pInt), intent(in), dimension(:,:,:) :: material_phase, phasememberat
! character(len=*), intent(in), dimension(:) :: phase_name ! character(len=*), intent(in), dimension(:) :: phase_name
@ -834,7 +869,6 @@ end subroutine results_mapping_materialpoint
!!> @brief adds the backward mapping from spatial position and constituent ID to results !!> @brief adds the backward mapping from spatial position and constituent ID to results
!!-------------------------------------------------------------------------------------------------- !!--------------------------------------------------------------------------------------------------
!subroutine HDF5_backwardMappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog) !subroutine HDF5_backwardMappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog)
! use hdf5
! integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat ! integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat
! character(len=*), intent(in), dimension(:) :: homogenization_name ! character(len=*), intent(in), dimension(:) :: homogenization_name
@ -941,7 +975,6 @@ end subroutine results_mapping_materialpoint
!!> @brief adds the unique cell to node mapping !!> @brief adds the unique cell to node mapping
!!-------------------------------------------------------------------------------------------------- !!--------------------------------------------------------------------------------------------------
!subroutine HDF5_mappingCells(mapping) !subroutine HDF5_mappingCells(mapping)
! use hdf5
! integer(pInt), intent(in), dimension(:) :: mapping ! integer(pInt), intent(in), dimension(:) :: mapping

14
src/system_routines.f90
View File

@ -93,21 +93,24 @@ end function isDirectory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief gets the current working directory !> @brief gets the current working directory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getCWD() function getCWD()
character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array
character(len=:), allocatable :: getCWD
integer(C_INT) :: stat integer(C_INT) :: stat
integer :: i integer :: i
call getCurrentWorkDir_C(charArray,stat) call getCurrentWorkDir_C(charArray,stat)
if (stat /= 0_C_INT) then if (stat /= 0_C_INT) then
getCWD = 'Error occured when getting currend working directory' getCWD = 'Error occured when getting currend working directory'
else else
getCWD = repeat('',len(getCWD)) allocate(character(len=1024)::getCWD)
arrayToString: do i=1,len(getCWD) arrayToString: do i=1,len(getCWD)
if (charArray(i) /= C_NULL_CHAR) then if (charArray(i) /= C_NULL_CHAR) then
getCWD(i:i)=charArray(i) getCWD(i:i)=charArray(i)
else else
getCWD = getCWD(:i-1)
exit exit
endif endif
enddo arrayToString enddo arrayToString
@ -119,21 +122,24 @@ end function getCWD
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief gets the current host name !> @brief gets the current host name
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getHostName() function getHostName()
character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array
character(len=:), allocatable :: getHostName
integer(C_INT) :: stat integer(C_INT) :: stat
integer :: i integer :: i
call getHostName_C(charArray,stat) call getHostName_C(charArray,stat)
if (stat /= 0_C_INT) then if (stat /= 0_C_INT) then
getHostName = 'Error occured when getting host name' getHostName = 'Error occured when getting host name'
else else
getHostName = repeat('',len(getHostName)) allocate(character(len=1024)::getHostName)
arrayToString: do i=1,len(getHostName) arrayToString: do i=1,len(getHostName)
if (charArray(i) /= C_NULL_CHAR) then if (charArray(i) /= C_NULL_CHAR) then
getHostName(i:i)=charArray(i) getHostName(i:i)=charArray(i)
else else
getHostName = getHostName(:i-1)
exit exit
endif endif
enddo arrayToString enddo arrayToString