Merge branch 'development' into python-module
This commit is contained in:
Martin Diehl
commit
af42eae9c1
|
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@ -113,13 +113,11 @@ if (DAMASK_SOLVER STREQUAL "grid")
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|||
elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh")
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||||
project (damask-mesh Fortran C)
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||||
add_definitions (-DFEM)
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||||
message ("Building FEM Solver\n")
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||||
message ("Building Mesh Solver\n")
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||||
else ()
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||||
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")
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||||
endif ()
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||||
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||||
# set linker commands (needs to be done after defining the project)
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||||
set (CMAKE_LINKER "${PETSC_LINKER}")
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||||
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
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||||
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||||
if (CMAKE_BUILD_TYPE STREQUAL "")
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||||
set (CMAKE_BUILD_TYPE "RELEASE")
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||||
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@ -168,9 +166,6 @@ add_definitions (-DDAMASKVERSION="${DAMASK_V}")
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# definition of other macros
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add_definitions (-DPETSc)
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||||
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||||
set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
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||||
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
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||||
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||||
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
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||||
include(Compiler-Intel)
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elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
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@ -183,14 +178,14 @@ endif ()
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|||
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||||
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||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
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set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
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||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${PETSC_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
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||||
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||||
if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
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||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
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||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
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endif ()
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||||
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set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DAMASK_INCLUDE_FLAGS} ${BUILDCMD_POST}")
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set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${PETSC_INCLUDES} ${BUILDCMD_POST}")
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set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} <OBJECTS> -o <TARGET> <LINK_LIBRARIES> ${PETSC_EXTERNAL_LIB} ${BUILDCMD_POST}")
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||||
message ("Fortran Compiler Flags:\n${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}}\n")
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||||
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2
LICENSE
2
LICENSE
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@ -1,4 +1,4 @@
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|||
Copyright 2011-19 Max-Planck-Institut für Eisenforschung GmbH
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Copyright 2011-20 Max-Planck-Institut für Eisenforschung GmbH
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||||
DAMASK is free software: you can redistribute it and/or modify
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||||
it under the terms of the GNU General Public License as published by
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||||
|
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2
Makefile
2
Makefile
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@ -26,7 +26,7 @@ build/grid:
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.PHONY: build/mesh
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build/mesh:
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@mkdir -p build/mesh
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@(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=FEM -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
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||||
@(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=MESH -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
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||||
.PHONY: clean
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||||
clean:
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||||
|
|
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|||
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@ -1,2 +1,2 @@
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|||
[001]
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||||
(gauss) phi1 0.000 Phi 0.000 phi2 0.000 scatter 0.000 fraction 1.000
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||||
(gauss) phi1 0.000 Phi 0.000 phi2 0.000
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||||
|
|
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|||
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@ -1,2 +1,2 @@
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|||
[101]
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||||
(gauss) phi1 0.000 Phi 45.000 phi2 90.000 scatter 0.000 fraction 1.000
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||||
(gauss) phi1 0.000 Phi 45.000 phi2 90.000
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||||
|
|
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@ -1,2 +1,2 @@
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|||
[111]
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||||
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000 scatter 0.000 fraction 1.000
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||||
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000
|
||||
|
|
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|||
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@ -1,2 +1,2 @@
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|||
[123]
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||||
(gauss) phi1 209.805 Phi 29.206 phi2 63.435 scatter 0.000 fraction 1.000
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||||
(gauss) phi1 209.805 Phi 29.206 phi2 63.435
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||||
|
|
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|||
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@ -4,14 +4,6 @@
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|||
[SX]
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||||
mech none
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||||
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||||
#-------------------#
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||||
<crystallite>
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||||
#-------------------#
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||||
|
||||
[aLittleSomething]
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||||
(output) f
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||||
(output) p
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||||
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||||
#-------------------#
|
||||
<phase>
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||||
#-------------------#
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||||
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@ -50,408 +42,212 @@ interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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|||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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||||
atol_resistance 1
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||||
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||||
(output) f
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||||
(output) p
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||||
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||||
#-------------------#
|
||||
<microstructure>
|
||||
#-------------------#
|
||||
|
||||
[Grain001]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
|
||||
[Grain002]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 2 fraction 1.0
|
||||
|
||||
[Grain003]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 3 fraction 1.0
|
||||
|
||||
[Grain004]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 4 fraction 1.0
|
||||
|
||||
[Grain005]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 5 fraction 1.0
|
||||
|
||||
[Grain006]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 6 fraction 1.0
|
||||
|
||||
[Grain007]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 7 fraction 1.0
|
||||
|
||||
[Grain008]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 8 fraction 1.0
|
||||
|
||||
[Grain009]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 9 fraction 1.0
|
||||
|
||||
[Grain010]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 10 fraction 1.0
|
||||
|
||||
[Grain011]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 11 fraction 1.0
|
||||
|
||||
[Grain012]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 12 fraction 1.0
|
||||
|
||||
[Grain013]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 13 fraction 1.0
|
||||
|
||||
[Grain014]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 14 fraction 1.0
|
||||
|
||||
[Grain015]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 15 fraction 1.0
|
||||
|
||||
[Grain016]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 16 fraction 1.0
|
||||
|
||||
[Grain017]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 17 fraction 1.0
|
||||
|
||||
[Grain018]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 18 fraction 1.0
|
||||
|
||||
[Grain019]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 19 fraction 1.0
|
||||
|
||||
[Grain020]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 20 fraction 1.0
|
||||
|
||||
[Grain021]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 21 fraction 1.0
|
||||
|
||||
[Grain022]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 22 fraction 1.0
|
||||
|
||||
[Grain023]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 23 fraction 1.0
|
||||
|
||||
[Grain024]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 24 fraction 1.0
|
||||
|
||||
[Grain025]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 25 fraction 1.0
|
||||
|
||||
[Grain026]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 26 fraction 1.0
|
||||
|
||||
[Grain027]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 27 fraction 1.0
|
||||
|
||||
[Grain028]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 28 fraction 1.0
|
||||
|
||||
[Grain029]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 29 fraction 1.0
|
||||
|
||||
[Grain030]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 30 fraction 1.0
|
||||
|
||||
[Grain031]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 31 fraction 1.0
|
||||
|
||||
[Grain032]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 32 fraction 1.0
|
||||
|
||||
[Grain033]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 33 fraction 1.0
|
||||
|
||||
[Grain034]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 34 fraction 1.0
|
||||
|
||||
[Grain035]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 35 fraction 1.0
|
||||
|
||||
[Grain036]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 36 fraction 1.0
|
||||
|
||||
[Grain037]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 37 fraction 1.0
|
||||
|
||||
[Grain038]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 38 fraction 1.0
|
||||
|
||||
[Grain039]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 39 fraction 1.0
|
||||
|
||||
[Grain040]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 40 fraction 1.0
|
||||
|
||||
[Grain041]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 41 fraction 1.0
|
||||
|
||||
[Grain042]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 42 fraction 1.0
|
||||
|
||||
[Grain043]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 43 fraction 1.0
|
||||
|
||||
[Grain044]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 44 fraction 1.0
|
||||
|
||||
[Grain045]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 45 fraction 1.0
|
||||
|
||||
[Grain046]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 46 fraction 1.0
|
||||
|
||||
[Grain047]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 47 fraction 1.0
|
||||
|
||||
[Grain048]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 48 fraction 1.0
|
||||
|
||||
[Grain049]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 49 fraction 1.0
|
||||
|
||||
[Grain050]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 50 fraction 1.0
|
||||
|
||||
[Grain051]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 51 fraction 1.0
|
||||
|
||||
[Grain052]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 52 fraction 1.0
|
||||
|
||||
[Grain053]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 53 fraction 1.0
|
||||
|
||||
[Grain054]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 54 fraction 1.0
|
||||
|
||||
[Grain055]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 55 fraction 1.0
|
||||
|
||||
[Grain056]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 56 fraction 1.0
|
||||
|
||||
[Grain057]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 57 fraction 1.0
|
||||
|
||||
[Grain058]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 58 fraction 1.0
|
||||
|
||||
[Grain059]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 59 fraction 1.0
|
||||
|
||||
[Grain060]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 60 fraction 1.0
|
||||
|
||||
[Grain061]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 61 fraction 1.0
|
||||
|
||||
[Grain062]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 62 fraction 1.0
|
||||
|
||||
[Grain063]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 63 fraction 1.0
|
||||
|
||||
[Grain064]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 64 fraction 1.0
|
||||
|
||||
[Grain065]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 65 fraction 1.0
|
||||
|
||||
[Grain066]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 66 fraction 1.0
|
||||
|
||||
[Grain067]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 67 fraction 1.0
|
||||
|
||||
[Grain068]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 68 fraction 1.0
|
||||
|
||||
[Grain069]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 69 fraction 1.0
|
||||
|
||||
[Grain070]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 70 fraction 1.0
|
||||
|
||||
[Grain071]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 71 fraction 1.0
|
||||
|
||||
[Grain072]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 72 fraction 1.0
|
||||
|
||||
[Grain073]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 73 fraction 1.0
|
||||
|
||||
[Grain074]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 74 fraction 1.0
|
||||
|
||||
[Grain075]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 75 fraction 1.0
|
||||
|
||||
[Grain076]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 76 fraction 1.0
|
||||
|
||||
[Grain077]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 77 fraction 1.0
|
||||
|
||||
[Grain078]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 78 fraction 1.0
|
||||
|
||||
[Grain079]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 79 fraction 1.0
|
||||
|
||||
[Grain080]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 80 fraction 1.0
|
||||
|
||||
[Grain081]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 81 fraction 1.0
|
||||
|
||||
[Grain082]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 82 fraction 1.0
|
||||
|
||||
[Grain083]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 83 fraction 1.0
|
||||
|
||||
[Grain084]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 84 fraction 1.0
|
||||
|
||||
[Grain085]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 85 fraction 1.0
|
||||
|
||||
[Grain086]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 86 fraction 1.0
|
||||
|
||||
[Grain087]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 87 fraction 1.0
|
||||
|
||||
[Grain088]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 88 fraction 1.0
|
||||
|
||||
[Grain089]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 89 fraction 1.0
|
||||
|
||||
[Grain090]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 90 fraction 1.0
|
||||
|
||||
[Grain091]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 91 fraction 1.0
|
||||
|
||||
[Grain092]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 92 fraction 1.0
|
||||
|
||||
[Grain093]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 93 fraction 1.0
|
||||
|
||||
[Grain094]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 94 fraction 1.0
|
||||
|
||||
[Grain095]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 95 fraction 1.0
|
||||
|
||||
[Grain096]
|
||||
crystallite 1
|
||||
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|
||||
|
||||
[Grain097]
|
||||
crystallite 1
|
||||
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|
||||
|
||||
[Grain098]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 98 fraction 1.0
|
||||
|
||||
[Grain099]
|
||||
crystallite 1
|
||||
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|
||||
|
||||
[Grain100]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 100 fraction 1.0
|
||||
|
||||
#-------------------#
|
||||
|
|
@ -459,301 +255,202 @@ crystallite 1
|
|||
#-------------------#
|
||||
|
||||
[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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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
|
||||
|
|
|
|||
|
|
@ -9,307 +9,206 @@
|
|||
#-------------------#
|
||||
|
||||
[Grain001]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
[Grain002]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 2 fraction 1.0
|
||||
[Grain003]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 3 fraction 1.0
|
||||
[Grain004]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 4 fraction 1.0
|
||||
[Grain005]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 5 fraction 1.0
|
||||
[Grain006]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 6 fraction 1.0
|
||||
[Grain007]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 7 fraction 1.0
|
||||
[Grain008]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 8 fraction 1.0
|
||||
[Grain009]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 9 fraction 1.0
|
||||
[Grain010]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 10 fraction 1.0
|
||||
[Grain011]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 11 fraction 1.0
|
||||
[Grain012]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 12 fraction 1.0
|
||||
[Grain013]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 13 fraction 1.0
|
||||
[Grain014]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 14 fraction 1.0
|
||||
[Grain015]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 15 fraction 1.0
|
||||
[Grain016]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 16 fraction 1.0
|
||||
[Grain017]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 17 fraction 1.0
|
||||
[Grain018]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 18 fraction 1.0
|
||||
[Grain019]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 19 fraction 1.0
|
||||
[Grain020]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 20 fraction 1.0
|
||||
[Grain021]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 21 fraction 1.0
|
||||
[Grain022]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 22 fraction 1.0
|
||||
[Grain023]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 23 fraction 1.0
|
||||
[Grain024]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 24 fraction 1.0
|
||||
[Grain025]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 25 fraction 1.0
|
||||
[Grain026]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 26 fraction 1.0
|
||||
[Grain027]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 27 fraction 1.0
|
||||
[Grain028]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 28 fraction 1.0
|
||||
[Grain029]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 29 fraction 1.0
|
||||
[Grain030]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 30 fraction 1.0
|
||||
[Grain031]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 31 fraction 1.0
|
||||
[Grain032]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 32 fraction 1.0
|
||||
[Grain033]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 33 fraction 1.0
|
||||
[Grain034]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 34 fraction 1.0
|
||||
[Grain035]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 35 fraction 1.0
|
||||
[Grain036]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 36 fraction 1.0
|
||||
[Grain037]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 37 fraction 1.0
|
||||
[Grain038]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 38 fraction 1.0
|
||||
[Grain039]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 39 fraction 1.0
|
||||
[Grain040]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 40 fraction 1.0
|
||||
[Grain041]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 41 fraction 1.0
|
||||
[Grain042]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 42 fraction 1.0
|
||||
[Grain043]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 43 fraction 1.0
|
||||
[Grain044]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 44 fraction 1.0
|
||||
[Grain045]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 45 fraction 1.0
|
||||
[Grain046]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 46 fraction 1.0
|
||||
[Grain047]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 47 fraction 1.0
|
||||
[Grain048]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 48 fraction 1.0
|
||||
[Grain049]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 49 fraction 1.0
|
||||
[Grain050]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 50 fraction 1.0
|
||||
[Grain051]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 51 fraction 1.0
|
||||
[Grain052]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 52 fraction 1.0
|
||||
[Grain053]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 53 fraction 1.0
|
||||
[Grain054]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 54 fraction 1.0
|
||||
[Grain055]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 55 fraction 1.0
|
||||
[Grain056]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 56 fraction 1.0
|
||||
[Grain057]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 57 fraction 1.0
|
||||
[Grain058]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 58 fraction 1.0
|
||||
[Grain059]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 59 fraction 1.0
|
||||
[Grain060]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 60 fraction 1.0
|
||||
[Grain061]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 61 fraction 1.0
|
||||
[Grain062]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 62 fraction 1.0
|
||||
[Grain063]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 63 fraction 1.0
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||||
[Grain064]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 64 fraction 1.0
|
||||
[Grain065]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 65 fraction 1.0
|
||||
[Grain066]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 66 fraction 1.0
|
||||
[Grain067]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 67 fraction 1.0
|
||||
[Grain068]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 68 fraction 1.0
|
||||
[Grain069]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 69 fraction 1.0
|
||||
[Grain070]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 70 fraction 1.0
|
||||
[Grain071]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 71 fraction 1.0
|
||||
[Grain072]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 72 fraction 1.0
|
||||
[Grain073]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 73 fraction 1.0
|
||||
[Grain074]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 74 fraction 1.0
|
||||
[Grain075]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 75 fraction 1.0
|
||||
[Grain076]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 76 fraction 1.0
|
||||
[Grain077]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 77 fraction 1.0
|
||||
[Grain078]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 78 fraction 1.0
|
||||
[Grain079]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 79 fraction 1.0
|
||||
[Grain080]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 80 fraction 1.0
|
||||
[Grain081]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 81 fraction 1.0
|
||||
[Grain082]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 82 fraction 1.0
|
||||
[Grain083]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 83 fraction 1.0
|
||||
[Grain084]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 84 fraction 1.0
|
||||
[Grain085]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 85 fraction 1.0
|
||||
[Grain086]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 86 fraction 1.0
|
||||
[Grain087]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 87 fraction 1.0
|
||||
[Grain088]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 88 fraction 1.0
|
||||
[Grain089]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 89 fraction 1.0
|
||||
[Grain090]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 90 fraction 1.0
|
||||
[Grain091]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 91 fraction 1.0
|
||||
[Grain092]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 92 fraction 1.0
|
||||
[Grain093]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 93 fraction 1.0
|
||||
[Grain094]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 94 fraction 1.0
|
||||
[Grain095]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 95 fraction 1.0
|
||||
[Grain096]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 96 fraction 1.0
|
||||
[Grain097]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 97 fraction 1.0
|
||||
[Grain098]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 98 fraction 1.0
|
||||
[Grain099]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 99 fraction 1.0
|
||||
[Grain100]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 100 fraction 1.0
|
||||
[cubeGrain]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 101 fraction 1.0
|
||||
|
||||
#-------------------#
|
||||
|
|
@ -317,214 +216,209 @@ crystallite 1
|
|||
#-------------------#
|
||||
|
||||
[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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(gauss) phi1 0 Phi 0 phi2 0 scatter 0 fraction 1
|
||||
(gauss) phi1 0 Phi 0 phi2 0
|
||||
|
||||
#-------------------#
|
||||
<crystallite>
|
||||
#-------------------#
|
||||
|
||||
{../ConfigFiles/Crystallite_All.config}
|
||||
|
||||
#-------------------#
|
||||
<phase>
|
||||
|
|
|
|||
|
|
@ -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
|
||||
1 1.0 1 5 1 1 0.5 0.5 0.5 0.024172998067 0.056046936661 0.0577092021704 0.0580734722316 0.0075496127829 0.00882737897336 0.00766104180366 1.0 1.1259596093e-13 1.12595994811e-13 1.55780499177e-13 0.999847710133 -0.0174524057657 1.55782193243e-13 0.0174524057657 0.999847710133 1.0 -1.23725617425e-12 1.23720879461e-12 1.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
2 2.0 1 5 1 1 0.5 0.5 0.5 0.0241432830571 0.0377263836563 0.0324090756476 0.033376660198 0.00727691268548 0.00865175202489 0.00764666078612 1.0 1.10501743118e-13 1.10501777e-13 1.50193822223e-13 0.99939084053 -0.034899495542 1.55527744546e-13 0.034899495542 0.99939084053 1.0 -6.45080505939e-13 5.68662738426e-13 2.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
3 3.0 1 5 1 1 0.5 0.5 0.5 0.0257848323757 0.0201567672193 0.00817993376404 0.00972554087639 0.00701188668609 0.00847246591002 0.00763081293553 1.0 1.08486407791e-13 1.08486434896e-13 1.447601533e-13 0.998629510403 -0.0523359552026 1.55243941075e-13 0.0523359552026 0.998629510403 1.0 -4.46705416797e-13 3.46547009838e-13 3.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
4 4.0 1 5 1 1 0.5 0.5 0.5 0.0286209738301 0.00342932180502 -0.0149000706151 -0.0128218811005 0.00675505120307 0.00828998535872 0.0076136472635 1.0 1.06547922069e-13 1.06547949174e-13 1.39501515266e-13 0.997564077377 -0.0697564706206 1.54932937682e-13 0.0697564706206 0.997564077377 1.0 -3.46813588048e-13 2.36204529243e-13 4.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
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
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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
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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
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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
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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
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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
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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
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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
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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
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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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15 15.0 1 5 1 1 0.5 0.5 0.5 0.064623152588 -0.120048590004 -0.185179919004 -0.17832493782 0.00435922853649 0.00614238297567 0.00737902149558 1.0 8.97219175041e-14 8.97219107278e-14 9.03759421358e-14 0.965925812721 -0.258819043636 1.50488345743e-13 0.258819043636 0.965925812721 1.0 -1.17391732728e-13 1.26347923687e-15 15.0 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
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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
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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
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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
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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
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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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22 22.0 1 5 1 1 0.5 0.5 0.5 0.0699866553715 -0.138959825039 -0.211107447743 -0.202245801687 0.00315649039112 0.00472341617569 0.00723067810759 1.0 8.25866610342e-14 8.25866339291e-14 6.57438174539e-14 0.927183866501 -0.374606579542 1.4762987382e-13 0.374606579542 0.927183866501 1.0 -8.68153950963e-14 -2.24807118179e-14 22.0 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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24 24.0 1 5 1 1 0.5 0.5 0.5 0.0687132541533 -0.136471450329 -0.20762142539 -0.198303565383 0.0028445108328 0.00431606685743 0.00719203986228 1.0 8.09674050896e-14 8.09673779845e-14 5.93358776826e-14 0.913545489311 -0.406736642122 1.46877193567e-13 0.406736642122 0.913545489311 1.0 -8.10227265054e-14 -2.65915626107e-14 24.0 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
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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
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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
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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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29 29.0 1 5 1 1 0.5 0.5 0.5 0.0606526623375 -0.11671321094 -0.180158898234 -0.169930398464 0.00211710762233 0.003298870055 0.00710933981463 1.0 7.76414658477e-14 7.76414319664e-14 4.44384214485e-14 0.874619722366 -0.484809607267 1.45310806031e-13 0.484809607267 0.874619722366 1.0 -6.9789633057e-14 -3.42433838175e-14 29.0 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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30 30.0 1 5 1 1 0.5 0.5 0.5 0.0582944850272 -0.1107018888 -0.171804904938 -0.161417961121 0.00197660620324 0.00309796072543 0.00709319859743 1.0 7.7092669813e-14 7.70926291555e-14 4.15282669635e-14 0.866025388241 -0.5 1.44978782668e-13 0.5 0.866025388241 1.0 -6.78861535128e-14 -3.55643994614e-14 30.0 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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31 31.0 1 5 1 1 0.5 0.5 0.5 0.0557503201598 -0.104059666395 -0.162606656551 -0.152081504464 0.00184033811092 0.00289721833542 0.00708150491118 1.0 7.65807840861e-14 7.65807502048e-14 3.87372832379e-14 0.857167303562 -0.515038073063 1.44792137264e-13 0.515038073063 0.857167303562 1.0 -6.62197551025e-14 -3.67385463685e-14 31.0 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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32 32.0 1 5 1 1 0.5 0.5 0.5 0.0529884126408 -0.0968004092574 -0.152546048164 -0.14190004766 0.00170668761712 0.0026978047099 0.00706525752321 1.0 7.6105117488e-14 7.61050768304e-14 3.60106096418e-14 0.848048090935 -0.529919266701 1.44433035952e-13 0.529919266701 0.848048090935 1.0 -6.44701645043e-14 -3.78307716371e-14 32.0 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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33 33.0 1 5 1 1 0.5 0.5 0.5 0.0500567272075 -0.0890314355493 -0.141778171062 -0.131015405059 0.00157438474707 0.00249168649316 0.00705360202119 1.0 7.56650127211e-14 7.56649788398e-14 3.33055252214e-14 0.838670551777 -0.544639050961 1.44223988221e-13 0.544639050961 0.838670551777 1.0 -6.29398605716e-14 -3.88876756317e-14 33.0 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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34 34.0 1 5 1 1 0.5 0.5 0.5 0.0469640629868 -0.0807560905814 -0.130312100053 -0.119427792728 0.00144245161209 0.00229033012874 0.00704180356115 1.0 7.52598734743e-14 7.52598328167e-14 3.05895784506e-14 0.829037606716 -0.559192895889 1.43997755885e-13 0.559192895889 0.829037606716 1.0 -6.14617270923e-14 -3.99417607007e-14 34.0 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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35 35.0 1 5 1 1 0.5 0.5 0.5 0.0437172172209 -0.071987785399 -0.118148125708 -0.107174038887 0.00131240475457 0.00208335206844 0.00703246705234 1.0 7.48891440939e-14 7.48891034364e-14 2.79183008092e-14 0.819152057171 -0.573576450348 1.43846116659e-13 0.573576450348 0.819152057171 1.0 -6.01114481542e-14 -4.09455862228e-14 35.0 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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36 36.0 1 5 1 1 0.5 0.5 0.5 0.0403788372113 -0.0627495497465 -0.105374902487 -0.0943066850305 0.00118379341438 0.00188469397835 0.00702259968966 1.0 7.45523163603e-14 7.45522757027e-14 2.5277750135e-14 0.809017002583 -0.587785243988 1.43663347277e-13 0.587785243988 0.809017002583 1.0 -5.87893923538e-14 -4.19154524999e-14 36.0 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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37 37.0 1 5 1 1 0.5 0.5 0.5 0.0369407713034 -0.053146019578 -0.0920672789216 -0.0809241756797 0.00105845439248 0.00168191338889 0.0070105525665 1.0 7.42489362636e-14 7.42488888298e-14 2.27346861768e-14 0.798635542393 -0.601814985275 1.43391131217e-13 0.601814985275 0.798635542393 1.0 -5.74447715958e-14 -4.27990704942e-14 37.0 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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38 38.0 1 5 1 1 0.5 0.5 0.5 0.0334600072977 -0.0431970842183 -0.0782782137394 -0.0670673400164 0.000933687435463 0.00148375425488 0.00700649619102 1.0 7.39785836756e-14 7.39785362418e-14 2.01957371047e-14 0.788010776043 -0.61566144228 1.43388285186e-13 0.61566144228 0.788010776043 1.0 -5.63700595804e-14 -4.36789107216e-14 38.0 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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39 39.0 1 5 1 1 0.5 0.5 0.5 0.0299732687575 -0.032885748893 -0.0640020221472 -0.0527336075902 0.000808531127404 0.00128437299281 0.00699805375189 1.0 7.37408926781e-14 7.37408452443e-14 1.76288596622e-14 0.777145981789 -0.629320383072 1.4321798413e-13 0.629320383072 0.777145981789 1.0 -5.52001275093e-14 -4.45814548201e-14 39.0 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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40 40.0 1 5 1 1 0.5 0.5 0.5 0.0265501119175 -0.0222893729806 -0.0493332147598 -0.0380037464201 0.000683732156176 0.00107720762026 0.00699263811111 1.0 7.35355447866e-14 7.35354973528e-14 1.50622549643e-14 0.766044437885 -0.642787575722 1.43141751165e-13 0.642787575722 0.766044437885 1.0 -5.41440536069e-14 -4.54841479964e-14 40.0 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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|
||||
77 77.0 1 5 1 1 0.5 0.5 0.5 0.0691430442849 0.214006558061 0.277257710695 0.283598601818 -0.00446529500186 -0.00628326507285 0.00731486734003 1.0 8.97219039515e-14 8.97218023076e-14 -9.03223757722e-14 0.224951073527 -0.974370062351 1.5050570653e-13 0.974370062351 0.224951073527 1.0 -3.11913851952e-14 -9.23900916167e-14 77.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
78 78.0 1 5 1 1 0.5 0.5 0.5 0.0668996797354 0.208257958293 0.269263744354 0.275259256363 -0.00465713022277 -0.00647377641872 0.00733389845118 1.0 9.09458462315e-14 9.09457378113e-14 -9.42809808631e-14 0.207911714911 -0.978147566319 1.50915440084e-13 0.978147566319 0.207911714911 1.0 -3.06547254486e-14 -9.46824541513e-14 78.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
79 79.0 1 5 1 1 0.5 0.5 0.5 0.0643428410009 0.201603919268 0.260032474995 0.265651851892 -0.00485096639022 -0.00666582910344 0.00735527323559 1.0 9.22255503845e-14 9.2225435188e-14 -9.82367805808e-14 0.190809011459 -0.981627166271 1.51408264181e-13 0.981627166271 0.190809011459 1.0 -3.0145265624e-14 -9.70135769136e-14 79.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
80 80.0 1 5 1 1 0.5 0.5 0.5 0.0614645414137 0.194048047066 0.249545291066 0.254766076803 -0.00505235884339 -0.00686362525448 0.00737208453938 1.0 9.35626901476e-14 9.35625817274e-14 -1.02382444428e-13 0.17364820838 -0.984807729721 1.51741778322e-13 0.984807729721 0.17364820838 1.0 -2.95383529648e-14 -9.94839518924e-14 80.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
81 81.0 1 5 1 1 0.5 0.5 0.5 0.0582718432416 0.185640856624 0.237853914499 0.242651328444 -0.00525587564334 -0.00704948464409 0.00739240786061 1.0 9.49590273492e-14 9.49589053765e-14 -1.06522917657e-13 0.156434491277 -0.987688362598 1.52202360958e-13 0.987688362598 0.156434491277 1.0 -2.89785014561e-14 -1.01996719176e-13 81.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
82 82.0 1 5 1 1 0.5 0.5 0.5 0.0548411210712 0.176334485412 0.224956199527 0.229332342744 -0.00546766957268 -0.00723874382675 0.00740870647132 1.0 9.64163441469e-14 9.64162289504e-14 -1.10871842306e-13 0.13917312026 -0.990268051624 1.52525670045e-13 0.990268051624 0.13917312026 1.0 -2.833043316e-14 -1.04662663898e-13 82.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
83 83.0 1 5 1 1 0.5 0.5 0.5 0.0511313149972 0.166156679392 0.210826560855 0.214756399393 -0.00568466819823 -0.00742362486199 0.00743296789005 1.0 9.79365040129e-14 9.79363888164e-14 -1.15317233844e-13 0.121869370341 -0.992546141148 1.53136387577e-13 0.992546141148 0.121869370341 1.0 -2.78072717305e-14 -1.07427616607e-13 83.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
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
|
||||
90 90.0 1 5 1 1 0.5 0.5 0.5 0.0251206236511 0.0723270624876 0.0806358680129 0.0808931067586 -0.00738708348945 -0.00866825506091 0.00754283368587 1.0 1.10501756671e-13 1.10501614369e-13 -1.50157664081e-13 2.67917759089e-08 -1.0 1.55653268052e-13 1.0 2.67920814423e-08 1.0 -2.25758302298e-14 -1.30329706988e-13 90.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
||||
|
|
@ -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
|
||||
|
|
@ -3,25 +3,12 @@
|
|||
#-------------------#
|
||||
|
||||
[direct]
|
||||
mech none # isostrain 1 grain
|
||||
mech none
|
||||
|
||||
thermal adiabatic # thermal strain (stress) induced mass transport
|
||||
thermal adiabatic
|
||||
t0 330.0
|
||||
(output) temperature
|
||||
|
||||
#-------------------#
|
||||
<crystallite>
|
||||
#-------------------#
|
||||
|
||||
[aLittleSomething]
|
||||
|
||||
(output) texture
|
||||
(output) f
|
||||
(output) p
|
||||
(output) fe
|
||||
(output) fi
|
||||
(output) fp
|
||||
|
||||
#-------------------#
|
||||
<phase>
|
||||
#-------------------#
|
||||
|
|
@ -34,6 +21,12 @@ plasticity none
|
|||
{config/elastic_isotropic.config}
|
||||
{config/thermal.config}
|
||||
|
||||
(output) f
|
||||
(output) p
|
||||
(output) fe
|
||||
(output) fi
|
||||
(output) fp
|
||||
|
||||
#.................
|
||||
[Ti matrix]
|
||||
|
||||
|
|
@ -43,6 +36,12 @@ plasticity none
|
|||
{config/elastic_Ti.config}
|
||||
{config/thermal.config}
|
||||
|
||||
(output) f
|
||||
(output) p
|
||||
(output) fe
|
||||
(output) fi
|
||||
(output) fp
|
||||
|
||||
#.................
|
||||
[isotropic inclusion]
|
||||
|
||||
|
|
@ -52,6 +51,12 @@ plasticity none
|
|||
{config/thermal.config}
|
||||
{config/thermalExpansion_isotropic.config}
|
||||
|
||||
(output) f
|
||||
(output) p
|
||||
(output) fe
|
||||
(output) fi
|
||||
(output) fp
|
||||
|
||||
#.................
|
||||
[anisotropic inclusion]
|
||||
|
||||
|
|
@ -61,6 +66,12 @@ plasticity none
|
|||
{config/thermal.config}
|
||||
{config/thermalExpansion_fullyAnisotropic.config}
|
||||
|
||||
(output) f
|
||||
(output) p
|
||||
(output) fe
|
||||
(output) fi
|
||||
(output) fp
|
||||
|
||||
#.................
|
||||
[Ti inclusion]
|
||||
|
||||
|
|
@ -71,32 +82,32 @@ plasticity none
|
|||
{config/thermal.config}
|
||||
{config/thermalExpansion_Ti.config}
|
||||
|
||||
(output) f
|
||||
(output) p
|
||||
(output) fe
|
||||
(output) fi
|
||||
(output) fp
|
||||
|
||||
#--------------------------#
|
||||
<microstructure>
|
||||
#--------------------------#
|
||||
|
||||
[isotropic matrix]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
|
||||
[Ti matrix]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 1 fraction 1.0
|
||||
|
||||
[isotropic inclusion]
|
||||
crystallite 1
|
||||
(constituent) phase 3 texture 1 fraction 1.0
|
||||
|
||||
[anisotropic inclusion]
|
||||
crystallite 1
|
||||
(constituent) phase 4 texture 1 fraction 1.0
|
||||
|
||||
[rotated inclusion]
|
||||
crystallite 1
|
||||
(constituent) phase 4 texture 2 fraction 1.0
|
||||
|
||||
[Ti inclusion]
|
||||
crystallite 1
|
||||
(constituent) phase 5 texture 1 fraction 1.0
|
||||
|
||||
#--------------------------#
|
||||
|
|
@ -104,8 +115,8 @@ crystallite 1
|
|||
#--------------------------#
|
||||
|
||||
[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]
|
||||
(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
|
||||
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -51,64 +51,44 @@ atol_resistance 1
|
|||
<microstructure>
|
||||
#-------------------#
|
||||
[Grain01]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 01 fraction 1.0
|
||||
[Grain02]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 02 fraction 1.0
|
||||
[Grain03]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 03 fraction 1.0
|
||||
[Grain04]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 04 fraction 1.0
|
||||
[Grain05]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 05 fraction 1.0
|
||||
[Grain06]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 06 fraction 1.0
|
||||
[Grain07]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 07 fraction 1.0
|
||||
[Grain08]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 08 fraction 1.0
|
||||
[Grain09]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 09 fraction 1.0
|
||||
[Grain10]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 10 fraction 1.0
|
||||
[Grain11]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 11 fraction 1.0
|
||||
[Grain12]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 12 fraction 1.0
|
||||
[Grain13]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 13 fraction 1.0
|
||||
[Grain14]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 14 fraction 1.0
|
||||
[Grain15]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 15 fraction 1.0
|
||||
[Grain16]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 16 fraction 1.0
|
||||
[Grain17]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 17 fraction 1.0
|
||||
[Grain18]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 18 fraction 1.0
|
||||
[Grain19]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 19 fraction 1.0
|
||||
[Grain20]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 20 fraction 1.0
|
||||
|
||||
|
||||
|
|
@ -116,42 +96,42 @@ crystallite 1
|
|||
<texture>
|
||||
#-------------------#
|
||||
[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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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]
|
||||
(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
|
||||
|
|
|
|||
|
|
@ -9,14 +9,6 @@ cd DAMASK_ROOT
|
|||
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
|
||||
commit your changes
|
||||
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
||||
|
|
@ -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
|
||||
|
||||
|
|
@ -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
|
||||
|
|
@ -2,6 +2,7 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
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',
|
||||
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')
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.frame is None:
|
||||
parser.error('frame not specified')
|
||||
if options.depth is None:
|
||||
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:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except: continue
|
||||
damask.util.report(scriptName,name)
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
# ------------------------------------------ read header ------------------------------------------
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
table.head_read()
|
||||
coord = - table.get(options.frame)
|
||||
coord[:,2] += table.get(options.depth)[:,0]
|
||||
|
||||
# ------------------------------------------ sanity checks -----------------------------------------
|
||||
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.add('coord',
|
||||
np.einsum('ijk,ik->ij',np.broadcast_to(RotMat2TSL,(coord.shape[0],3,3)),coord),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
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
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -176,7 +176,7 @@ for name in filenames:
|
|||
damask.util.report(scriptName,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)
|
||||
nodes = damask.grid_filters.node_coord(size,F)
|
||||
|
|
|
|||
|
|
@ -44,7 +44,7 @@ for name in filenames:
|
|||
damask.util.report(scriptName,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:
|
||||
field = table.get(label)
|
||||
|
|
|
|||
|
|
@ -50,7 +50,7 @@ for name in filenames:
|
|||
damask.util.report(scriptName,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)))
|
||||
if options.nodal:
|
||||
|
|
|
|||
|
|
@ -44,7 +44,7 @@ for name in filenames:
|
|||
damask.util.report(scriptName,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:
|
||||
field = table.get(label)
|
||||
|
|
|
|||
|
|
@ -143,7 +143,7 @@ for name in filenames:
|
|||
damask.util.report(scriptName,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]
|
||||
diffToNeighbor = np.empty(list(grid+2)+[len(neighborhood)],'i')
|
||||
|
|
|
|||
|
|
@ -44,7 +44,7 @@ for name in filenames:
|
|||
damask.util.report(scriptName,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:
|
||||
field = table.get(label)
|
||||
|
|
|
|||
|
|
@ -2,25 +2,24 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
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."""
|
||||
return {
|
||||
'V#ln': np.log(eigenvalues) ,
|
||||
'U#ln': np.log(eigenvalues) ,
|
||||
'V#Biot': ( np.ones(3,'d') - 1.0/eigenvalues ) ,
|
||||
'U#Biot': ( eigenvalues - np.ones(3,'d') ) ,
|
||||
'V#Green': ( np.ones(3,'d') - 1.0/eigenvalues/eigenvalues) *0.5,
|
||||
'U#Green': ( eigenvalues*eigenvalues - np.ones(3,'d')) *0.5,
|
||||
'V#ln': ('V',0.0),
|
||||
'U#ln': ('U',0.0),
|
||||
'V#Biot': ('V',-.5),
|
||||
'U#Biot': ('U',+.5),
|
||||
'V#Green': ('V',-1.),
|
||||
'U#Green': ('U',+1.),
|
||||
}[stretch+'#'+strain]
|
||||
|
||||
|
||||
|
|
@ -64,9 +63,10 @@ parser.set_defaults(
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if len(options.defgrad) > 1:
|
||||
options.defgrad = options.defgrad[1:]
|
||||
options.defgrad = options.defgrad[1:]
|
||||
|
||||
stretches = []
|
||||
strains = []
|
||||
|
|
@ -78,84 +78,21 @@ if options.biot: strains.append('Biot')
|
|||
if options.green: strains.append('Green')
|
||||
|
||||
if options.defgrad is None:
|
||||
parser.error('no data column specified.')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
parser.error('no data column specified.')
|
||||
|
||||
for name in filenames:
|
||||
try:
|
||||
table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except IOError: continue
|
||||
damask.util.report(scriptName,name)
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
# ------------------------------------------ read header ------------------------------------------
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
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 defgrad in options.defgrad:
|
||||
F = table.get(defgrad).reshape((-1,3,3))
|
||||
for theStretch in stretches:
|
||||
for theStrain in strains:
|
||||
table.labels_append(['{}_{}({}){}'.format(i+1, # extend ASCII header with new labels
|
||||
theStrain,
|
||||
theStretch,
|
||||
what if what != 'f' else '') for i in range(9)])
|
||||
for theStrain in strains:
|
||||
(t,m) = parameters(theStretch,theStrain)
|
||||
label = '{}({}){}'.format(theStrain,theStretch,defgrad if defgrad != 'f' else '')
|
||||
table.add(label,
|
||||
damask.mechanics.strain_tensor(F,t,m).reshape((-1,9)),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
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()
|
||||
|
||||
# ------------------------------------------ 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
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,6 +2,7 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import damask
|
||||
|
|
@ -25,56 +26,19 @@ parser.add_option('-a', '--add','--table',
|
|||
help = 'tables to add')
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.table is None:
|
||||
parser.error('no table specified.')
|
||||
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.table is None:
|
||||
parser.error('no table specified.')
|
||||
|
||||
for name in filenames:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except: continue
|
||||
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)
|
||||
|
||||
tables = []
|
||||
for addTable in options.table:
|
||||
try: tables.append(damask.ASCIItable(name = addTable,
|
||||
buffered = False,
|
||||
readonly = True)
|
||||
)
|
||||
except: continue
|
||||
for addTable in options.table:
|
||||
table2 = damask.Table.from_ASCII(addTable)
|
||||
table2.data = table2.data[:table.data.shape[0]]
|
||||
table.join(table2)
|
||||
|
||||
# ------------------------------------------ read headers ------------------------------------------
|
||||
|
||||
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()
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,6 +2,7 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
|
@ -49,6 +50,7 @@ parser.set_defaults(pos = 'pos',
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
packing = np.array(options.packing,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)
|
||||
if any(shift != 0): prefix += 'shift{:+}{:+}{:+}_'.format(*shift)
|
||||
|
||||
# --- loop over input files ------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
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)
|
||||
|
||||
# ------------------------------------------ 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))
|
||||
|
||||
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()
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
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:
|
||||
grid = np.array(options.grid,'i')
|
||||
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
|
||||
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( \
|
||||
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[1],axis = 1),
|
||||
-shift[2],axis = 2),
|
||||
size = list(packing) + [1],
|
||||
mode = 'wrap',
|
||||
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])
|
||||
yy = np.tile(np.repeat(y,packedGrid[0] ),packedGrid[2])
|
||||
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
|
||||
outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
|
||||
table.to_ASCII(sys.stdout if name is None else outname)
|
||||
|
|
|
|||
|
|
@ -2,8 +2,10 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
from scipy import ndimage
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
|
@ -42,82 +44,29 @@ parser.set_defaults(pos = 'pos',
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
options.packing = np.array(options.packing)
|
||||
prefix = 'blowUp{}x{}x{}_'.format(*options.packing)
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
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)
|
||||
|
||||
# ------------------------------------------ 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))
|
||||
|
||||
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)
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||
|
||||
packing = np.array(options.packing,'i')
|
||||
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.head_write()
|
||||
table = damask.Table(blownUp,table.shapes,table.comments)
|
||||
|
||||
# ------------------------------------------ process data -------------------------------------------
|
||||
coords = damask.grid_filters.cell_coord0(outSize,size,origin)
|
||||
table.set(options.pos,coords.reshape((-1,3)))
|
||||
table.set('elem',np.arange(1,outSize.prod()+1))
|
||||
|
||||
data = np.zeros(outSize.tolist()+[len(table.labels(raw = True))])
|
||||
p = np.zeros(3,'i')
|
||||
|
||||
for p[2] in range(grid[2]):
|
||||
for p[1] in range(grid[1]):
|
||||
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)
|
||||
outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
|
||||
table.to_ASCII(sys.stdout if name is None else outname)
|
||||
|
|
|
|||
|
|
@ -2,10 +2,9 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
|
|
@ -27,53 +26,18 @@ parser.add_option('-a', '--add','--table',
|
|||
help = 'tables to add')
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.table is None:
|
||||
parser.error('no table specified.')
|
||||
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.table is None:
|
||||
parser.error('no table specified.')
|
||||
|
||||
for name in filenames:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except: continue
|
||||
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)
|
||||
|
||||
tables = []
|
||||
for addTable in options.table:
|
||||
try: tables.append(damask.ASCIItable(name = addTable,
|
||||
buffered = False,
|
||||
readonly = True)
|
||||
)
|
||||
except: continue
|
||||
for growTable in options.table:
|
||||
table2 = damask.Table.from_ASCII(growTable)
|
||||
table.append(table2)
|
||||
|
||||
# ------------------------------------------ read headers ------------------------------------------
|
||||
|
||||
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()
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -1,8 +1,9 @@
|
|||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
from collections import defaultdict
|
||||
|
||||
import vtk
|
||||
from vtk.util import numpy_support
|
||||
|
|
@ -18,11 +19,10 @@ scriptID = ' '.join([scriptName,damask.version])
|
|||
# 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,
|
||||
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)
|
||||
|
||||
parser.add_option( '--vtk',
|
||||
|
|
@ -49,10 +49,10 @@ parser.add_option('-c', '--color',
|
|||
parser.set_defaults(data = [],
|
||||
tensor = [],
|
||||
color = [],
|
||||
render = False,
|
||||
)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if not options.vtk: parser.error('No VTK file specified.')
|
||||
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))
|
||||
|
||||
# --- 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)
|
||||
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 = {}
|
||||
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 datatype,dimension,label in [['data',99,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 dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
||||
else:
|
||||
remarks.append('adding {} "{}"...'.format(datatype,me))
|
||||
active[datatype].append(me)
|
||||
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)
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
for tensor in options.tensor:
|
||||
data = damask.mechanics.symmetric(table.get(tensor).reshape((-1,3,3))).reshape((-1,9))
|
||||
VTKarray[tensor] = numpy_support.numpy_to_vtk(data.copy(),
|
||||
deep=True,array_type=vtk.VTK_DOUBLE)
|
||||
VTKarray[tensor].SetName(tensor)
|
||||
|
||||
# ------------------------------------------ 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 ---------------------------------------
|
||||
|
||||
|
|
@ -157,16 +120,10 @@ for name in filenames:
|
|||
|
||||
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])
|
||||
|
||||
for data in VTKarray:
|
||||
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[data])
|
||||
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[data])
|
||||
rGrid.Modified()
|
||||
if vtk.VTK_MAJOR_VERSION <= 5: rGrid.Update()
|
||||
|
||||
# ------------------------------------------ output result ---------------------------------------
|
||||
|
||||
|
|
@ -184,7 +141,7 @@ if options.render:
|
|||
actor.SetMapper(mapper)
|
||||
|
||||
# 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
|
||||
# depending on the nature of the events.
|
||||
|
||||
|
|
|
|||
|
|
@ -1,8 +1,9 @@
|
|||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
from collections import defaultdict
|
||||
|
||||
import vtk
|
||||
from vtk.util import numpy_support
|
||||
|
|
@ -20,7 +21,8 @@ scriptID = ' '.join([scriptName,damask.version])
|
|||
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
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)
|
||||
|
||||
parser.add_option( '--vtk',
|
||||
|
|
@ -39,9 +41,10 @@ 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 tuples')
|
||||
parser.add_option('-c', '--color',
|
||||
dest = 'color',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'RGB color tuple label')
|
||||
|
||||
parser.set_defaults(data = [],
|
||||
tensor = [],
|
||||
|
|
@ -49,8 +52,9 @@ parser.set_defaults(data = [],
|
|||
)
|
||||
|
||||
(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.')
|
||||
|
||||
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))
|
||||
|
||||
# --- 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)
|
||||
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 = {}
|
||||
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 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)
|
||||
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)
|
||||
|
||||
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])
|
||||
for tensor in options.tensor:
|
||||
data = damask.mechanics.symmetric(table.get(tensor).reshape((-1,3,3))).reshape((-1,9))
|
||||
VTKarray[tensor] = numpy_support.numpy_to_vtk(data.copy(),
|
||||
deep=True,array_type=vtk.VTK_DOUBLE)
|
||||
VTKarray[tensor].SetName(tensor)
|
||||
|
||||
|
||||
table.input_close() # close input ASCII table
|
||||
for data in VTKarray:
|
||||
Polydata.GetPointData().AddArray(VTKarray[data])
|
||||
Polydata.Modified()
|
||||
|
||||
# ------------------------------------------ output result ---------------------------------------
|
||||
|
||||
Polydata.Modified()
|
||||
|
||||
writer = vtk.vtkXMLPolyDataWriter()
|
||||
writer.SetDataModeToBinary()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
|
|
|
|||
|
|
@ -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()
|
||||
|
|
@ -86,7 +86,7 @@ for name in filenames:
|
|||
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
|
||||
|
||||
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
|
||||
microstructure = np.empty(grid,dtype = int) # initialize empty microstructure
|
||||
|
|
|
|||
|
|
@ -30,7 +30,7 @@ for name in filenames:
|
|||
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
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 \
|
||||
+ [scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||
|
|
@ -40,7 +40,7 @@ for name in filenames:
|
|||
"homogenization\t{}".format(geom.homogenization)]
|
||||
|
||||
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 \
|
||||
os.path.splitext(name)[0]+'.txt')
|
||||
|
|
|
|||
|
|
@ -1,5 +1,3 @@
|
|||
import math
|
||||
|
||||
import numpy as np
|
||||
|
||||
class Color():
|
||||
|
|
@ -328,11 +326,11 @@ class Color():
|
|||
if self.model != 'CIELAB': return
|
||||
|
||||
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):
|
||||
Msh[1] = math.acos(self.color[0]/Msh[0])
|
||||
Msh[1] = np.arccos(self.color[0]/Msh[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)
|
||||
self.model = converted.model
|
||||
|
|
@ -349,9 +347,9 @@ class Color():
|
|||
if self.model != 'MSH': return
|
||||
|
||||
Lab = np.zeros(3,'d')
|
||||
Lab[0] = self.color[0] * math.cos(self.color[1])
|
||||
Lab[1] = self.color[0] * math.sin(self.color[1]) * math.cos(self.color[2])
|
||||
Lab[2] = self.color[0] * math.sin(self.color[1]) * math.sin(self.color[2])
|
||||
Lab[0] = self.color[0] * np.cos(self.color[1])
|
||||
Lab[1] = self.color[0] * np.sin(self.color[1]) * np.cos(self.color[2])
|
||||
Lab[2] = self.color[0] * np.sin(self.color[1]) * np.sin(self.color[2])
|
||||
|
||||
converted = Color('CIELAB', Lab)
|
||||
self.model = converted.model
|
||||
|
|
@ -476,14 +474,14 @@ class Colormap():
|
|||
if Msh_sat[0] >= Msh_unsat[0]:
|
||||
return Msh_sat[2]
|
||||
else:
|
||||
hSpin = Msh_sat[1]/math.sin(Msh_sat[1])*math.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0]
|
||||
if Msh_sat[2] < - math.pi/3.0: hSpin *= -1.0
|
||||
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] < - np.pi/3.0: hSpin *= -1.0
|
||||
return Msh_sat[2] + hSpin
|
||||
|
||||
Msh1 = np.array(lo[:])
|
||||
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)
|
||||
if frac < 0.5:
|
||||
Msh2 = np.array([M_mid,0.0,0.0],'d')
|
||||
|
|
|
|||
|
|
@ -339,8 +339,8 @@ class DADF5():
|
|||
"""Return information on all active datasets in the file."""
|
||||
message = ''
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
for s,i in enumerate(self.iter_visible('increments')):
|
||||
message+='\n{} ({}s)\n'.format(i,self.times[s])
|
||||
for i in self.iter_visible('increments'):
|
||||
message+='\n{} ({}s)\n'.format(i,self.times[self.increments.index(i)])
|
||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||
for oo in self.iter_visible(o):
|
||||
message+=' {}\n'.format(oo)
|
||||
|
|
@ -855,7 +855,7 @@ class DADF5():
|
|||
|
||||
Parameters
|
||||
----------
|
||||
labels : list of str
|
||||
labels : str or list of
|
||||
Labels of the datasets to be exported.
|
||||
mode : str, either 'Cell' or 'Point'
|
||||
Export in cell format or point format.
|
||||
|
|
@ -880,7 +880,7 @@ class DADF5():
|
|||
else:
|
||||
|
||||
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))
|
||||
|
||||
vtk_geom = vtk.vtkUnstructuredGrid()
|
||||
|
|
@ -908,7 +908,7 @@ class DADF5():
|
|||
|
||||
materialpoints_backup = self.visible['materialpoints'].copy()
|
||||
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'):
|
||||
if p != 'generic':
|
||||
for c in self.iter_visible('constituents'):
|
||||
|
|
@ -939,7 +939,7 @@ class DADF5():
|
|||
|
||||
constituents_backup = self.visible['constituents'].copy()
|
||||
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'):
|
||||
if p != 'generic':
|
||||
for m in self.iter_visible('materialpoints'):
|
||||
|
|
|
|||
|
|
@ -422,7 +422,7 @@ class Geom():
|
|||
ext = os.path.splitext(fname)[1]
|
||||
if ext == '':
|
||||
name = fname + '.' + writer.GetDefaultFileExtension()
|
||||
elif ext == writer.GetDefaultFileExtension():
|
||||
elif ext[1:] == writer.GetDefaultFileExtension():
|
||||
name = fname
|
||||
else:
|
||||
raise ValueError("unknown extension {}".format(ext))
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
||||
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.
|
||||
|
||||
|
|
@ -201,6 +201,10 @@ def cell_coord0_2_DNA(coord0,ordered=True):
|
|||
delta = size/grid
|
||||
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):
|
||||
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.
|
||||
|
||||
"""
|
||||
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]
|
||||
|
||||
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.
|
||||
|
||||
|
|
|
|||
|
|
@ -58,10 +58,10 @@ def strain_tensor(F,t,m):
|
|||
|
||||
"""
|
||||
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_))
|
||||
w,n = np.linalg.eigh(B)
|
||||
elif t == 'V':
|
||||
elif t == 'U':
|
||||
C = np.matmul(transpose(F_),F_)
|
||||
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))
|
||||
|
||||
|
||||
def spherical_part(x):
|
||||
def spherical_part(x,tensor=False):
|
||||
"""
|
||||
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
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
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 \
|
||||
np.trace(x,axis1=1,axis2=2)/3.0
|
||||
if x.shape == (3,3):
|
||||
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):
|
||||
|
|
|
|||
|
|
@ -22,7 +22,7 @@ class Table():
|
|||
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.shapes = shapes
|
||||
self.__label_condensed()
|
||||
|
|
@ -77,10 +77,9 @@ class Table():
|
|||
if keyword == 'header':
|
||||
header = int(header)
|
||||
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()
|
||||
|
||||
shapes = {}
|
||||
|
|
@ -138,9 +137,12 @@ class Table():
|
|||
break
|
||||
|
||||
data = np.loadtxt(content)
|
||||
for c in range(data.shape[1]-10):
|
||||
shapes['n/a_{}'.format(c+1)] = (1,)
|
||||
|
||||
return Table(data,shapes,comments)
|
||||
|
||||
|
||||
@property
|
||||
def labels(self):
|
||||
return list(self.shapes.keys())
|
||||
|
|
@ -248,17 +250,17 @@ class Table():
|
|||
'' 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):
|
||||
"""
|
||||
Get column data.
|
||||
Sort table by values of given labels.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label : str or list
|
||||
Column labels.
|
||||
Column labels for sorting.
|
||||
ascending : bool or list, optional
|
||||
Set sort order.
|
||||
|
||||
|
|
@ -269,6 +271,44 @@ class Table():
|
|||
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):
|
||||
"""
|
||||
Store as plain text file.
|
||||
|
|
|
|||
|
|
@ -45,17 +45,17 @@ class TestRotation:
|
|||
def test_Homochoric(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asRodrigues(),
|
||||
Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues())
|
||||
Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues(),rtol=5.e-5)
|
||||
|
||||
def test_Cubochoric(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asHomochoric(),
|
||||
Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric())
|
||||
Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric(),rtol=5.e-5)
|
||||
|
||||
def test_Quaternion(self,default):
|
||||
for rot in default:
|
||||
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'])
|
||||
|
|
|
|||
|
|
@ -86,14 +86,42 @@ class TestTable:
|
|||
|
||||
def test_rename_gone(self,default):
|
||||
default.rename('v','V')
|
||||
assert 'v' not in default.shapes and 'v' not in default.data.columns
|
||||
with pytest.raises(KeyError):
|
||||
default.get('v')
|
||||
|
||||
def test_delete(self,default):
|
||||
default.delete('v')
|
||||
assert 'v' not in default.shapes and 'v' not in default.data.columns
|
||||
with pytest.raises(KeyError):
|
||||
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):
|
||||
x = np.random.random((5,10))
|
||||
|
|
|
|||
|
|
@ -26,12 +26,12 @@ class TestGridFilters:
|
|||
|
||||
@pytest.mark.parametrize('mode',[('cell'),('node')])
|
||||
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))
|
||||
size = np.random.random(3)
|
||||
origin = np.random.random(3)
|
||||
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)
|
||||
|
||||
def test_displacement_fluct_equivalence(self):
|
||||
|
|
|
|||
|
|
@ -30,8 +30,8 @@ class TestMechanics:
|
|||
|
||||
def test_vectorize_spherical_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.spherical_part(x)[self.c],
|
||||
mechanics.spherical_part(x[self.c]))
|
||||
assert np.allclose(mechanics.spherical_part(x,True)[self.c],
|
||||
mechanics.spherical_part(x[self.c],True))
|
||||
|
||||
|
||||
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),
|
||||
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):
|
||||
"""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),
|
||||
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):
|
||||
"""Ensure that pure rotation results in no strain."""
|
||||
|
|
@ -111,15 +126,46 @@ class TestMechanics:
|
|||
assert np.allclose(mechanics.strain_tensor(F,t,m),
|
||||
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):
|
||||
"""Ensure that full tensor is sum of spherical and deviatoric part."""
|
||||
x = np.random.random((self.n,3,3))
|
||||
sph = np.broadcast_to(np.eye(3),(self.n,3,3))\
|
||||
* np.repeat(mechanics.spherical_part(x),9).reshape(self.n,3,3)
|
||||
sph = mechanics.spherical_part(x,True)
|
||||
assert np.allclose(sph + mechanics.deviatoric_part(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):
|
||||
"""Ensure that a symmetric tensor is half of the sum of a tensor and its transpose."""
|
||||
|
|
|
|||
|
|
@ -377,7 +377,7 @@ subroutine CPFEM_results(inc,time)
|
|||
call constitutive_results
|
||||
call crystallite_results
|
||||
call homogenization_results
|
||||
call results_removeLink('current') ! ToDo: put this into closeJobFile
|
||||
call results_finalizeIncrement
|
||||
call results_closeJobFile
|
||||
|
||||
end subroutine CPFEM_results
|
||||
|
|
|
|||
|
|
@ -17,7 +17,6 @@ module CPFEM2
|
|||
use DAMASK_interface
|
||||
use results
|
||||
use discretization
|
||||
use HDF5
|
||||
use HDF5_utilities
|
||||
use homogenization
|
||||
use constitutive
|
||||
|
|
@ -202,7 +201,7 @@ subroutine CPFEM_results(inc,time)
|
|||
call crystallite_results
|
||||
call homogenization_results
|
||||
call discretization_results
|
||||
call results_removeLink('current') ! ToDo: put this into closeJobFile?
|
||||
call results_finalizeIncrement
|
||||
call results_closeJobFile
|
||||
|
||||
end subroutine CPFEM_results
|
||||
|
|
|
|||
|
|
@ -10,7 +10,7 @@
|
|||
!> and working directory.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
#define GCC_MIN 6
|
||||
#define INTEL_MIN 1600
|
||||
#define INTEL_MIN 1700
|
||||
#define PETSC_MAJOR 3
|
||||
#define PETSC_MINOR_MIN 10
|
||||
#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)') ' Geometry argument: ', trim(geometryArg)
|
||||
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)') ' 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) &
|
||||
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
|
||||
|
||||
|
|
@ -308,7 +308,7 @@ subroutine setWorkingDirectory(workingDirectoryArg)
|
|||
workingDirectory = trim(rectifyPath(workingDirectory))
|
||||
error = setCWD(trim(workingDirectory))
|
||||
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)
|
||||
endif
|
||||
|
||||
|
|
@ -318,8 +318,9 @@ end subroutine setWorkingDirectory
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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
|
||||
|
||||
posExt = scan(geometryFile,'.',back=.true.)
|
||||
|
|
@ -330,7 +331,7 @@ character(len=1024) function getSolverJobName()
|
|||
posExt = 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
|
||||
|
||||
|
|
@ -338,15 +339,16 @@ end function getSolverJobName
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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
|
||||
logical :: file_exists
|
||||
external :: quit
|
||||
character(len=:), allocatable :: getGeometryFile
|
||||
character(len=*), intent(in) :: geometryParameter
|
||||
logical :: file_exists
|
||||
external :: quit
|
||||
|
||||
getGeometryFile = trim(geometryParameter)
|
||||
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
|
||||
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
|
||||
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = getCWD()//'/'//trim(getGeometryFile)
|
||||
getGeometryFile = makeRelativePath(getCWD(), getGeometryFile)
|
||||
|
||||
inquire(file=trim(getGeometryFile), exist=file_exists)
|
||||
if (.not. file_exists) then
|
||||
|
|
@ -360,15 +362,16 @@ end function getGeometryFile
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief relative path of loadcase from command line arguments
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
character(len=1024) function getLoadCaseFile(loadCaseParameter)
|
||||
function getLoadCaseFile(loadCaseParameter)
|
||||
|
||||
character(len=1024), intent(in) :: loadCaseParameter
|
||||
logical :: file_exists
|
||||
external :: quit
|
||||
character(len=:), allocatable :: getLoadCaseFile
|
||||
character(len=*), intent(in) :: loadCaseParameter
|
||||
logical :: file_exists
|
||||
external :: quit
|
||||
|
||||
getLoadCaseFile = trim(loadCaseParameter)
|
||||
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
|
||||
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
|
||||
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = getCWD()//'/'//trim(getLoadCaseFile)
|
||||
getLoadCaseFile = makeRelativePath(getCWD(), getLoadCaseFile)
|
||||
|
||||
inquire(file=trim(getLoadCaseFile), exist=file_exists)
|
||||
if (.not. file_exists) then
|
||||
|
|
|
|||
|
|
@ -46,10 +46,10 @@ subroutine FE_init
|
|||
call IO_open_inputFile(FILEUNIT)
|
||||
rewind(FILEUNIT)
|
||||
do
|
||||
read (FILEUNIT,'(a256)',END=100) line
|
||||
read (FILEUNIT,'(A)',END=100) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
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)
|
||||
symmetricSolver = (IO_intValue(line,chunkPos,2) /= 1)
|
||||
endif
|
||||
|
|
|
|||
136
src/IO.f90
136
src/IO.f90
|
|
@ -13,6 +13,8 @@ module IO
|
|||
private
|
||||
character(len=*), parameter, public :: &
|
||||
IO_EOF = '#EOF#' !< end of file string
|
||||
character, parameter, public :: &
|
||||
IO_EOL = new_line(' ') !< end of line str
|
||||
character(len=*), parameter, private :: &
|
||||
IO_DIVIDER = '───────────────────'//&
|
||||
'───────────────────'//&
|
||||
|
|
@ -21,9 +23,8 @@ module IO
|
|||
public :: &
|
||||
IO_init, &
|
||||
IO_read_ASCII, &
|
||||
IO_open_file, &
|
||||
IO_open_file, & ! deprecated, use IO_read_ASCII
|
||||
IO_open_jobFile_binary, &
|
||||
IO_write_jobFile, &
|
||||
IO_isBlank, &
|
||||
IO_getTag, &
|
||||
IO_stringPos, &
|
||||
|
|
@ -43,15 +44,10 @@ module IO
|
|||
IO_countDataLines
|
||||
#elif defined(Marc4DAMASK)
|
||||
IO_fixedNoEFloatValue, &
|
||||
IO_fixedIntValue, &
|
||||
IO_countNumericalDataLines
|
||||
IO_fixedIntValue
|
||||
#endif
|
||||
#endif
|
||||
|
||||
private :: &
|
||||
IO_verifyFloatValue, &
|
||||
IO_verifyIntValue
|
||||
|
||||
contains
|
||||
|
||||
|
||||
|
|
@ -103,7 +99,7 @@ function IO_read_ASCII(fileName) result(fileContent)
|
|||
! count lines to allocate string array
|
||||
myTotalLines = 1
|
||||
do l=1, len(rawData)
|
||||
if (rawData(l:l) == new_line('')) myTotalLines = myTotalLines+1
|
||||
if (rawData(l:l) == IO_EOL) myTotalLines = myTotalLines+1
|
||||
enddo
|
||||
allocate(fileContent(myTotalLines))
|
||||
|
||||
|
|
@ -113,7 +109,7 @@ function IO_read_ASCII(fileName) result(fileContent)
|
|||
startPos = 1
|
||||
l = 1
|
||||
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
|
||||
line = rawData(startPos:startPos+pStringLen-1)
|
||||
if (.not. warned) then
|
||||
|
|
@ -248,7 +244,7 @@ subroutine IO_open_inputFile(fileUnit)
|
|||
|
||||
|
||||
do
|
||||
read(unit2,'(A256)',END=220) line
|
||||
read(unit2,'(A)',END=220) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
|
||||
if (IO_lc(IO_StringValue(line,chunkPos,1))=='*include') then
|
||||
|
|
@ -289,25 +285,6 @@ end subroutine IO_open_inputFile
|
|||
#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
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -406,7 +383,7 @@ function IO_stringValue(string,chunkPos,myChunk,silent)
|
|||
logical :: warn
|
||||
|
||||
if (present(silent)) then
|
||||
warn = silent
|
||||
warn = .not. silent
|
||||
else
|
||||
warn = .false.
|
||||
endif
|
||||
|
|
@ -436,11 +413,10 @@ real(pReal) function IO_floatValue (string,chunkPos,myChunk)
|
|||
|
||||
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then
|
||||
call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
|
||||
else valuePresent
|
||||
IO_floatValue = &
|
||||
IO_verifyFloatValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),&
|
||||
VALIDCHARACTERS,MYNAME)
|
||||
endif valuePresent
|
||||
else valuePresent
|
||||
IO_floatValue = verifyFloatValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),&
|
||||
VALIDCHARACTERS,MYNAME)
|
||||
endif valuePresent
|
||||
|
||||
end function IO_floatValue
|
||||
|
||||
|
|
@ -461,7 +437,7 @@ integer function IO_intValue(string,chunkPos,myChunk)
|
|||
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then
|
||||
call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
|
||||
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)
|
||||
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.)
|
||||
hasExponent: if (pos_exp > 1) then
|
||||
base = IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk)+pos_exp-1))),&
|
||||
VALIDBASE,MYNAME//'(base): ')
|
||||
expon = IO_verifyIntValue(trim(adjustl(string(ends(myChunk)+pos_exp:ends(myChunk+1)))),&
|
||||
VALIDEXP,MYNAME//'(exp): ')
|
||||
base = verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk)+pos_exp-1))),&
|
||||
VALIDBASE,MYNAME//'(base): ')
|
||||
expon = verifyIntValue(trim(adjustl(string(ends(myChunk)+pos_exp:ends(myChunk+1)))),&
|
||||
VALIDEXP,MYNAME//'(exp): ')
|
||||
else hasExponent
|
||||
base = IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk+1)))),&
|
||||
VALIDBASE,MYNAME//'(base): ')
|
||||
base = verifyFloatValue(trim(adjustl(string(ends(myChunk)+1:ends(myChunk+1)))),&
|
||||
VALIDBASE,MYNAME//'(base): ')
|
||||
expon = 0
|
||||
endif hasExponent
|
||||
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 :: 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)
|
||||
|
||||
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
|
||||
|
||||
external :: quit
|
||||
character(len=1024) :: msg
|
||||
character(len=1024) :: formatString
|
||||
character(len=pStringLen) :: msg
|
||||
character(len=pStringLen) :: formatString
|
||||
|
||||
select case (error_ID)
|
||||
|
||||
|
|
@ -572,14 +548,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
msg = 'could not read file:'
|
||||
case (103)
|
||||
msg = 'could not assemble input files'
|
||||
case (104)
|
||||
msg = '{input} recursion limit reached'
|
||||
case (105)
|
||||
msg = 'unknown output:'
|
||||
case (106)
|
||||
msg = 'working directory does not exist:'
|
||||
case (107)
|
||||
msg = 'line length exceeds limit of 256'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! lattice error messages
|
||||
|
|
@ -799,8 +769,8 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
|
|||
integer, optional, intent(in) :: el,ip,g
|
||||
character(len=*), optional, intent(in) :: ext_msg
|
||||
|
||||
character(len=1024) :: msg
|
||||
character(len=1024) :: formatString
|
||||
character(len=pStringLen) :: msg
|
||||
character(len=pStringLen) :: formatString
|
||||
|
||||
select case (warning_ID)
|
||||
case (1)
|
||||
|
|
@ -946,38 +916,6 @@ end function IO_countDataLines
|
|||
#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
|
||||
!> @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)
|
||||
do
|
||||
read(fileUnit,'(A256)',end=100) line
|
||||
read(fileUnit,'(A)',end=100) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
if (chunkPos(1) < 1) then ! empty line
|
||||
exit
|
||||
|
|
@ -1103,14 +1041,14 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! check if the element values in the elset are auto generated
|
||||
backspace(fileUnit)
|
||||
read(fileUnit,'(A256)',end=100) line
|
||||
read(fileUnit,'(A)',end=100) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
do i = 1,chunkPos(1)
|
||||
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'generate') rangeGeneration = .true.
|
||||
enddo
|
||||
|
||||
do l = 1,c
|
||||
read(fileUnit,'(A256)',end=100) line
|
||||
read(fileUnit,'(A)',end=100) 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
|
||||
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
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
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!
|
||||
validChars, & !< valid characters in string
|
||||
myName !< name of caller function (for debugging)
|
||||
integer :: readStatus, invalidWhere
|
||||
|
||||
IO_verifyIntValue = 0
|
||||
verifyIntValue = 0
|
||||
|
||||
invalidWhere = verify(string,validChars)
|
||||
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
|
||||
call IO_warning(203,ext_msg=myName//'"'//string//'"')
|
||||
else
|
||||
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
|
||||
call IO_warning(203,ext_msg=myName//'"'//string(1:invalidWhere-1)//'"')
|
||||
endif
|
||||
|
||||
end function IO_verifyIntValue
|
||||
end function verifyIntValue
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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!
|
||||
validChars, & !< valid characters in string
|
||||
|
|
@ -1183,20 +1121,20 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName)
|
|||
|
||||
integer :: readStatus, invalidWhere
|
||||
|
||||
IO_verifyFloatValue = 0.0_pReal
|
||||
verifyFloatValue = 0.0_pReal
|
||||
|
||||
invalidWhere = verify(string,validChars)
|
||||
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
|
||||
call IO_warning(203,ext_msg=myName//'"'//string//'"')
|
||||
else
|
||||
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
|
||||
call IO_warning(203,ext_msg=myName//'"'//string(1:invalidWhere-1)//'"')
|
||||
endif
|
||||
|
||||
end function IO_verifyFloatValue
|
||||
end function verifyFloatValue
|
||||
|
||||
end module IO
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @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 "numerics.f90"
|
||||
|
|
@ -15,7 +15,6 @@
|
|||
#include "rotations.f90"
|
||||
#include "FEsolving.f90"
|
||||
#include "element.f90"
|
||||
#include "mesh_base.f90"
|
||||
#include "HDF5_utilities.f90"
|
||||
#include "results.f90"
|
||||
#include "geometry_plastic_nonlocal.f90"
|
||||
|
|
|
|||
|
|
@ -11,7 +11,6 @@ module constitutive
|
|||
use config
|
||||
use material
|
||||
use results
|
||||
use HDF5_utilities
|
||||
use lattice
|
||||
use discretization
|
||||
use plastic_none
|
||||
|
|
@ -587,11 +586,11 @@ subroutine constitutive_results
|
|||
character(len=pStringLen) :: group
|
||||
do p=1,size(config_name_phase)
|
||||
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'
|
||||
|
||||
call HDF5_closeGroup(results_addGroup(group))
|
||||
call results_closeGroup(results_addGroup(group))
|
||||
select case(phase_plasticity(p))
|
||||
|
||||
case(PLASTICITY_ISOTROPIC_ID)
|
||||
|
|
|
|||
|
|
@ -118,7 +118,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine crystallite_init
|
||||
|
||||
logical, dimension(:,:), allocatable :: devNull
|
||||
logical, dimension(discretization_nIP,discretization_nElem) :: devNull
|
||||
integer :: &
|
||||
c, & !< counter in integration point component loop
|
||||
i, & !< counter in integration point loop
|
||||
|
|
|
|||
|
|
@ -39,7 +39,7 @@ module element
|
|||
integer, parameter, private :: &
|
||||
NELEMTYPE = 13
|
||||
|
||||
integer, dimension(NelemType), parameter, private :: NNODE = &
|
||||
integer, dimension(NELEMTYPE), parameter, private :: NNODE = &
|
||||
[ &
|
||||
3, & ! 2D 3node 1ip
|
||||
6, & ! 2D 6node 3ip
|
||||
|
|
@ -57,7 +57,7 @@ module element
|
|||
20 & ! 3D 20node 27ip
|
||||
] !< number of nodes that constitute a specific type of element
|
||||
|
||||
integer, dimension(NelemType), parameter, public :: GEOMTYPE = &
|
||||
integer, dimension(NELEMTYPE), parameter, public :: GEOMTYPE = &
|
||||
[ &
|
||||
1, &
|
||||
2, &
|
||||
|
|
@ -74,8 +74,7 @@ module element
|
|||
10 &
|
||||
] !< geometry type of particular element type
|
||||
|
||||
!integer, dimension(maxval(geomType)), parameter, private :: NCELLNODE = & ! Intel 16.0 complains
|
||||
integer, dimension(10), parameter, private :: NCELLNODE = &
|
||||
integer, dimension(maxval(GEOMTYPE)), parameter, private :: NCELLNODE = &
|
||||
[ &
|
||||
3, &
|
||||
7, &
|
||||
|
|
@ -89,8 +88,7 @@ module element
|
|||
64 &
|
||||
] !< number of cell nodes in a specific geometry type
|
||||
|
||||
!integer, dimension(maxval(geomType)), parameter, private :: NIP = & ! Intel 16.0 complains
|
||||
integer, dimension(10), parameter, private :: NIP = &
|
||||
integer, dimension(maxval(GEOMTYPE)), parameter, private :: NIP = &
|
||||
[ &
|
||||
1, &
|
||||
3, &
|
||||
|
|
@ -104,8 +102,7 @@ module element
|
|||
27 &
|
||||
] !< number of IPs in a specific geometry type
|
||||
|
||||
!integer, dimension(maxval(geomType)), parameter, private :: CELLTYPE = & ! Intel 16.0 complains
|
||||
integer, dimension(10), parameter, private :: CELLTYPE = &
|
||||
integer, dimension(maxval(GEOMTYPE)), parameter, private :: CELLTYPE = &
|
||||
[ &
|
||||
1, & ! 2D 3node
|
||||
2, & ! 2D 4node
|
||||
|
|
@ -119,8 +116,7 @@ module element
|
|||
4 & ! 3D 8node
|
||||
] !< cell type that is used by each geometry type
|
||||
|
||||
!integer, dimension(maxval(cellType)), parameter, private :: nIPNeighbor = & ! Intel 16.0 complains
|
||||
integer, dimension(4), parameter, private :: NIPNEIGHBOR = &
|
||||
integer, dimension(maxval(CELLTYPE)), parameter, private :: NIPNEIGHBOR = &
|
||||
[ &
|
||||
3, & ! 2D 3node
|
||||
4, & ! 2D 4node
|
||||
|
|
@ -128,8 +124,7 @@ module element
|
|||
6 & ! 3D 8node
|
||||
] !< number of ip neighbors / cell faces in a specific cell type
|
||||
|
||||
!integer, dimension(maxval(cellType)), parameter, private :: NCELLNODESPERCELLFACE = & ! Intel 16.0 complains
|
||||
integer, dimension(4), parameter, private :: NCELLNODEPERCELLFACE = &
|
||||
integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELLFACE = &
|
||||
[ &
|
||||
2, & ! 2D 3node
|
||||
2, & ! 2D 4node
|
||||
|
|
@ -137,8 +132,7 @@ module element
|
|||
4 & ! 3D 8node
|
||||
] !< number of cell nodes in a specific cell type
|
||||
|
||||
!integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELL = & ! Intel 16.0 complains
|
||||
integer, dimension(4), parameter, private :: NCELLNODEPERCELL = &
|
||||
integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELL = &
|
||||
[ &
|
||||
3, & ! 2D 3node
|
||||
4, & ! 2D 4node
|
||||
|
|
|
|||
|
|
@ -10,32 +10,24 @@ module geometry_plastic_nonlocal
|
|||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
public
|
||||
|
||||
integer, public, protected :: &
|
||||
integer, protected :: &
|
||||
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]
|
||||
|
||||
real(pReal), dimension(:,:), allocatable, public, protected :: &
|
||||
real(pReal), dimension(:,:), allocatable, protected :: &
|
||||
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!)
|
||||
|
||||
real(pReal), dimension(:,:,:,:), allocatable, public, protected :: &
|
||||
real(pReal), dimension(:,:,:,:), allocatable, protected :: &
|
||||
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
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
|
|
@ -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
|
||||
|
||||
|
|
@ -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
|
||||
|
||||
|
|
|
|||
|
|
@ -15,7 +15,6 @@ module grid_damage_spectral
|
|||
use mesh_grid
|
||||
use damage_nonlocal
|
||||
use numerics
|
||||
use damage_nonlocal
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -55,7 +54,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_damage_spectral_init
|
||||
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, cell
|
||||
DM :: damage_grid
|
||||
Vec :: uBound, lBound
|
||||
|
|
@ -79,8 +78,8 @@ subroutine grid_damage_spectral_init
|
|||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,damage_snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(damage_snes,'damage_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
localK = 0
|
||||
localK(worldrank) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3D(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
|
|
|
|||
|
|
@ -7,22 +7,20 @@
|
|||
module grid_mech_FEM
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use DAMASK_interface
|
||||
use HDF5_utilities
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
|
||||
use prec
|
||||
use CPFEM2
|
||||
use IO
|
||||
use debug
|
||||
use DAMASK_interface
|
||||
use HDF5_utilities
|
||||
use math
|
||||
use spectral_utilities
|
||||
use FEsolving
|
||||
use numerics
|
||||
use homogenization
|
||||
use DAMASK_interface
|
||||
use spectral_utilities
|
||||
use discretization
|
||||
use mesh_grid
|
||||
use math
|
||||
use debug
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -52,10 +50,10 @@ module grid_mech_FEM
|
|||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
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
|
||||
|
||||
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) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
|
|
@ -82,8 +80,8 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mech_FEM_init
|
||||
|
||||
real(pReal) :: HGCoeff = 0e-2_pReal
|
||||
PetscInt, dimension(:), allocatable :: localK
|
||||
real(pReal) :: HGCoeff = 0.0e-2_pReal
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
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], [4,8])
|
||||
PetscErrorCode :: ierr
|
||||
integer :: rank
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
character(len=pStringLen) :: fileName
|
||||
real(pReal), dimension(3,3,3,3) :: devNull
|
||||
|
|
@ -123,10 +120,9 @@ subroutine grid_mech_FEM_init
|
|||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
|
||||
do rank = 1, worldsize
|
||||
call MPI_Bcast(localK(rank),1,MPI_INTEGER,rank-1,PETSC_COMM_WORLD,ierr)
|
||||
enddo
|
||||
localK = 0
|
||||
localK(worldrank) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, &
|
||||
DMDA_STENCIL_BOX, &
|
||||
|
|
|
|||
|
|
@ -15,13 +15,11 @@ module grid_mech_spectral_basic
|
|||
use HDF5_utilities
|
||||
use math
|
||||
use spectral_utilities
|
||||
use IO
|
||||
use FEsolving
|
||||
use config
|
||||
use numerics
|
||||
use homogenization
|
||||
use mesh_grid
|
||||
use CPFEM2
|
||||
use debug
|
||||
|
||||
implicit none
|
||||
|
|
@ -57,7 +55,7 @@ module grid_mech_spectral_basic
|
|||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
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) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current 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_aim_lastInc = F_aim
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!-----------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
|
||||
F_aimDot = &
|
||||
|
|
|
|||
|
|
@ -16,13 +16,11 @@ module grid_mech_spectral_polarisation
|
|||
use math
|
||||
use rotations
|
||||
use spectral_utilities
|
||||
use IO
|
||||
use FEsolving
|
||||
use config
|
||||
use numerics
|
||||
use homogenization
|
||||
use mesh_grid
|
||||
use CPFEM2
|
||||
use debug
|
||||
|
||||
implicit none
|
||||
|
|
@ -61,7 +59,7 @@ module grid_mech_spectral_polarisation
|
|||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||
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) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current 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
|
||||
F, & ! specific (sub)pointer
|
||||
F_tau ! specific (sub)pointer
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
integer :: fileUnit
|
||||
character(len=pStringLen) :: fileName
|
||||
|
|
@ -132,8 +130,8 @@ subroutine grid_mech_spectral_polarisation_init
|
|||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
localK = 0
|
||||
localK(worldrank) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
|
|
|
|||
|
|
@ -14,8 +14,8 @@ module grid_thermal_spectral
|
|||
use spectral_utilities
|
||||
use mesh_grid
|
||||
use thermal_conduction
|
||||
use material
|
||||
use numerics
|
||||
use material
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -55,7 +55,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_thermal_spectral_init
|
||||
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, cell
|
||||
DM :: thermal_grid
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
|
|
@ -77,8 +77,8 @@ subroutine grid_thermal_spectral_init
|
|||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(thermal_snes,'thermal_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
localK = 0
|
||||
localK(worldrank) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3D(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
|
|
|
|||
|
|
@ -700,7 +700,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
c_reduced, & !< reduced stiffness (depending on number of stress BC)
|
||||
sTimesC !< temp variable to check inversion
|
||||
logical :: errmatinv
|
||||
character(len=1024):: formatString
|
||||
character(len=pStringLen):: formatString
|
||||
|
||||
mask_stressVector = reshape(transpose(mask_stress), [9])
|
||||
size_reduced = count(mask_stressVector)
|
||||
|
|
|
|||
|
|
@ -65,7 +65,7 @@ subroutine kinematics_cleavage_opening_init
|
|||
|
||||
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)
|
||||
if (maxNinstance == 0) return
|
||||
|
|
|
|||
|
|
@ -51,7 +51,7 @@ subroutine kinematics_slipplane_opening_init
|
|||
|
||||
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)
|
||||
if (maxNinstance == 0) return
|
||||
|
|
@ -134,51 +134,35 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
|
|||
dLd_dTstar = 0.0_pReal
|
||||
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_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_t = math_mul33xx33(S,projection_t)
|
||||
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)* &
|
||||
prm%sdot0* &
|
||||
(abs(traction_d)/traction_crit - &
|
||||
abs(traction_d)/prm%critLoad(i))**prm%n
|
||||
if (abs(udotd) > tol_math_check) then
|
||||
Ld = Ld + udotd*projection_d
|
||||
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
|
||||
udotd = sign(1.0_pReal,traction_d)* prm%sdot0* ( abs(traction_d)/traction_crit &
|
||||
- abs(traction_d)/prm%critLoad(i))**prm%n
|
||||
udott = sign(1.0_pReal,traction_t)* prm%sdot0* ( abs(traction_t)/traction_crit &
|
||||
- abs(traction_t)/prm%critLoad(i))**prm%n
|
||||
udotn = prm%sdot0* ( max(0.0_pReal,traction_n)/traction_crit &
|
||||
- max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n
|
||||
|
||||
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
|
||||
dudotd_dt = udotd*prm%n/traction_d
|
||||
dudott_dt = udott*prm%n/traction_t
|
||||
dudotn_dt = udotn*prm%n/traction_n
|
||||
|
||||
udotn = &
|
||||
prm%sdot0* &
|
||||
(max(0.0_pReal,traction_n)/traction_crit - &
|
||||
max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n
|
||||
if (abs(udotn) > tol_math_check) then
|
||||
Ld = Ld + udotn*projection_n
|
||||
dudotn_dt = udotn*prm%n/traction_n
|
||||
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) + &
|
||||
dudotn_dt*projection_n(k,l)*projection_n(m,n)
|
||||
endif
|
||||
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) &
|
||||
+ dudott_dt*projection_t(k,l)*projection_t(m,n) &
|
||||
+ dudotn_dt*projection_n(k,l)*projection_n(m,n)
|
||||
|
||||
Ld = Ld + udotd*projection_d &
|
||||
+ udott*projection_t &
|
||||
+ udotn*projection_n
|
||||
enddo
|
||||
|
||||
end associate
|
||||
|
|
|
|||
|
|
@ -42,7 +42,7 @@ subroutine kinematics_thermal_expansion_init
|
|||
real(pReal), dimension(:), allocatable :: &
|
||||
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)
|
||||
|
||||
|
|
|
|||
|
|
@ -371,7 +371,7 @@ module lattice
|
|||
1,-1, 1, -2,-1, 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
|
||||
|
|
@ -387,7 +387,7 @@ module lattice
|
|||
0, 1, 0, 1, 0, 0, &
|
||||
0, 0, 1, 0, 1, 0, &
|
||||
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, 0, 1, 0, 1, 0, &
|
||||
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_direction, &
|
||||
lattice_slip_transverse, &
|
||||
lattice_labels_slip
|
||||
lattice_labels_slip, &
|
||||
lattice_labels_twin
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Module initialization
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine lattice_init
|
||||
|
||||
integer :: Nphases
|
||||
integer :: Nphases, p
|
||||
character(len=pStringLen) :: &
|
||||
tag = ''
|
||||
integer :: i,p
|
||||
real(pReal) :: CoverA
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
temp, &
|
||||
CoverA !< c/a ratio for low symmetry type lattice
|
||||
temp
|
||||
|
||||
write(6,'(/,a)') ' <<<+- lattice init -+>>>'
|
||||
|
||||
|
|
@ -515,15 +516,13 @@ subroutine lattice_init
|
|||
allocate(lattice_specificHeat ( Nphases), source=0.0_pReal)
|
||||
allocate(lattice_referenceTemperature ( Nphases), source=300.0_pReal)
|
||||
|
||||
allocate(lattice_mu(Nphases), source=0.0_pReal)
|
||||
allocate(lattice_nu(Nphases), source=0.0_pReal)
|
||||
allocate(lattice_mu(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_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0)
|
||||
|
||||
allocate(CoverA(Nphases),source=0.0_pReal)
|
||||
|
||||
do p = 1, size(config_phase)
|
||||
tag = config_phase(p)%getString('lattice_structure')
|
||||
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)
|
||||
|
||||
|
||||
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(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(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)
|
||||
enddo
|
||||
|
||||
do i = 1,Nphases
|
||||
if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) &
|
||||
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(131,el=i) ! checking physical significance of c/a
|
||||
if ((CoverA(i) > 2.0_pReal) &
|
||||
.and. lattice_structure(i) == LATTICE_bct_ID) call IO_error(131,el=i) ! checking physical significance of c/a
|
||||
call lattice_initializeStructure(i, CoverA(i))
|
||||
if ((CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) &
|
||||
.and. lattice_structure(p) == LATTICE_hex_ID) call IO_error(131,el=p) ! checking physical significance of c/a
|
||||
if ((CoverA > 2.0_pReal) &
|
||||
.and. lattice_structure(p) == LATTICE_bct_ID) call IO_error(131,el=p) ! checking physical significance of c/a
|
||||
call lattice_initializeStructure(p, CoverA)
|
||||
enddo
|
||||
|
||||
end subroutine lattice_init
|
||||
|
|
@ -1955,7 +1952,7 @@ function lattice_labels_slip(Nslip,structure) result(labels)
|
|||
if (any(Nslip < 0)) &
|
||||
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
|
||||
|
||||
|
|
@ -1996,7 +1993,7 @@ function lattice_labels_twin(Ntwin,structure) result(labels)
|
|||
if (any(Ntwin < 0)) &
|
||||
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
|
||||
|
||||
|
|
@ -2119,8 +2116,8 @@ end function buildInteraction
|
|||
function buildCoordinateSystem(active,potential,system,structure,cOverA)
|
||||
|
||||
integer, dimension(:), intent(in) :: &
|
||||
active, &
|
||||
potential
|
||||
active, & !< # of active systems per family
|
||||
potential !< # of potential systems per family
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
system
|
||||
character(len=*), intent(in) :: &
|
||||
|
|
@ -2311,14 +2308,13 @@ end subroutine buildTransformationSystem
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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) :: &
|
||||
active, &
|
||||
potential
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
integer, dimension(:), intent(in) :: &
|
||||
active, & !< # of active systems per family
|
||||
potential !< # of potential systems per family
|
||||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
system
|
||||
character(len=*), intent(in) :: structure !< lattice structure
|
||||
|
||||
character(len=:), dimension(:), allocatable :: labels
|
||||
character(len=:), allocatable :: label
|
||||
|
|
@ -2340,15 +2336,16 @@ function getlabels(active,potential,system,structure) result(labels)
|
|||
p = sum(potential(1:f-1))+s
|
||||
|
||||
i = 1
|
||||
label(i:i) = merge('[','<',structure(1:3) /= 'bct')
|
||||
label(i:i) = '['
|
||||
direction: do j = 1, size(system,1)/2
|
||||
write(label(i+1:i+2),"(I2.1)") int(system(j,p))
|
||||
label(i+3:i+3) = ' '
|
||||
i = i + 3
|
||||
enddo direction
|
||||
label(i:i) = ']'
|
||||
|
||||
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)
|
||||
write(label(i+1:i+2),"(I2.1)") int(system(j,p))
|
||||
label(i+3:i+3) = ' '
|
||||
|
|
|
|||
38
src/math.f90
38
src/math.f90
|
|
@ -398,22 +398,22 @@ pure function math_exp33(A,n)
|
|||
real(pReal), dimension(3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3) :: B, math_exp33
|
||||
real(pReal) :: invFac
|
||||
integer :: order
|
||||
|
||||
B = math_I3 ! init
|
||||
invFac = 1.0_pReal ! 0!
|
||||
math_exp33 = B ! A^0 = eye2
|
||||
integer :: n_
|
||||
|
||||
if (present(n)) then
|
||||
order = n
|
||||
n_ = n
|
||||
else
|
||||
order = 5
|
||||
n_ = 5
|
||||
endif
|
||||
|
||||
do i = 1, order
|
||||
invFac = invFac/real(i,pReal) ! invfac = 1/i!
|
||||
invFac = 1.0_pReal ! 0!
|
||||
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)
|
||||
math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/i!
|
||||
math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/(i!)
|
||||
enddo
|
||||
|
||||
end function math_exp33
|
||||
|
|
@ -489,8 +489,8 @@ function math_invSym3333(A)
|
|||
real(pReal), dimension(6*(64+2)) :: work
|
||||
logical :: error
|
||||
external :: &
|
||||
dgetrf, &
|
||||
dgetri
|
||||
dgetrf, &
|
||||
dgetri
|
||||
|
||||
temp66 = math_sym3333to66(A)
|
||||
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
|
||||
integer :: ierr
|
||||
external :: &
|
||||
dgetrf, &
|
||||
dgetri
|
||||
dgetrf, &
|
||||
dgetri
|
||||
|
||||
invA = A
|
||||
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), dimension(2) :: rnd ! random numbers
|
||||
real(pReal) :: scatter, & ! normalized scatter around meanvalue
|
||||
myWidth
|
||||
width_
|
||||
|
||||
if (abs(stddev) < tol_math_check) then
|
||||
math_sampleGaussVar = meanvalue
|
||||
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
|
||||
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
|
||||
enddo
|
||||
|
||||
|
|
|
|||
|
|
@ -20,7 +20,6 @@ module mesh
|
|||
use FEsolving
|
||||
use FEM_Zoo
|
||||
use prec
|
||||
use mesh_base
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -53,18 +52,6 @@ module mesh
|
|||
PetscInt, dimension(:), allocatable, public, protected :: &
|
||||
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 :: &
|
||||
mesh_init, &
|
||||
mesh_FEM_build_ipVolumes, &
|
||||
|
|
@ -72,24 +59,6 @@ module mesh
|
|||
|
||||
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
|
||||
|
|
@ -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
|
||||
|
||||
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,:),&
|
||||
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
|
||||
|
|
|
|||
|
|
@ -7,7 +7,6 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module mesh
|
||||
use prec
|
||||
use mesh_base
|
||||
use geometry_plastic_nonlocal
|
||||
use discretization
|
||||
use math
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -173,7 +173,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! get header length
|
||||
endPos = index(rawData,new_line(''))
|
||||
if(endPos <= index(rawData,'head')) then
|
||||
if(endPos <= index(rawData,'head')) then ! ToDo: Should be 'header'
|
||||
startPos = len(rawData)
|
||||
call IO_error(error_ID=841, ext_msg='readGeom')
|
||||
else
|
||||
|
|
@ -277,13 +277,13 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
compression: if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'of') then
|
||||
c = 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
|
||||
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)]
|
||||
else compression
|
||||
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 noCompression
|
||||
|
||||
|
|
|
|||
|
|
@ -9,7 +9,6 @@ module mesh
|
|||
use IO
|
||||
use prec
|
||||
use math
|
||||
use mesh_base
|
||||
use DAMASK_interface
|
||||
use IO
|
||||
use debug
|
||||
|
|
@ -37,12 +36,6 @@ module mesh
|
|||
mesh_mapFEtoCPelem, & !< [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 :: &
|
||||
mesh_init, &
|
||||
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"
|
||||
|
||||
|
||||
allocate(mesh_ipCoordinates(3,elem%nIPs,nElems),source=0.0_pReal) ! deprecated
|
||||
|
||||
allocate(cellNodeDefinition(elem%nNodes-1))
|
||||
allocate(connectivity_cell(elem%NcellNodesPerCell,elem%nIPs,nElems))
|
||||
call buildCells(connectivity_cell,cellNodeDefinition,&
|
||||
|
|
@ -497,8 +488,7 @@ subroutine inputRead_mapNodes(fileContent)
|
|||
chunkPos = IO_stringPos(fileContent(l))
|
||||
if( IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates' ) then
|
||||
do i = 1,size(mesh_mapFEtoCPnode,2)
|
||||
mesh_mapFEtoCPnode(1,i) = IO_fixedIntValue (fileContent(l+1+i),[0,10],1)
|
||||
mesh_mapFEtoCPnode(2,i) = i
|
||||
mesh_mapFEtoCPnode(1:2,i) = [IO_fixedIntValue (fileContent(l+1+i),[0,10],1),i] ! ToDo: use IO_intValue
|
||||
enddo
|
||||
exit
|
||||
endif
|
||||
|
|
@ -529,9 +519,9 @@ subroutine inputRead_elemNodes(nodes, &
|
|||
chunkPos = IO_stringPos(fileContent(l))
|
||||
if( IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates' ) then
|
||||
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
|
||||
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
|
||||
exit
|
||||
|
|
|
|||
|
|
@ -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_MIN = tiny(0.0_pReal) !< smallest normalized floating point number
|
||||
|
||||
integer, dimension(0), parameter, public :: emptyIntArray = [integer::]
|
||||
real(pReal), dimension(0), parameter, public :: emptyRealArray = [real(pReal)::]
|
||||
character(len=pStringLen), dimension(0), parameter, public :: emptyStringArray = [character(len=pStringLen)::]
|
||||
integer, dimension(0), parameter, public :: &
|
||||
emptyIntArray = [integer::]
|
||||
real(pReal), dimension(0), parameter, public :: &
|
||||
emptyRealArray = [real(pReal)::]
|
||||
character(len=pStringLen), dimension(0), parameter, public :: &
|
||||
emptyStringArray = [character(len=pStringLen)::]
|
||||
|
||||
private :: &
|
||||
unitTest
|
||||
|
|
|
|||
|
|
@ -2,8 +2,7 @@
|
|||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief quit subroutine
|
||||
!> @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
|
||||
!> 2 signals no severe problems, but some increments did not converge
|
||||
!> everything is fine. Exit code 1 signals an error, message according to IO_error.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine quit(stop_id)
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
|
|
@ -11,7 +10,7 @@ subroutine quit(stop_id)
|
|||
#ifdef _OPENMP
|
||||
use MPI
|
||||
#endif
|
||||
use hdf5
|
||||
use HDF5
|
||||
|
||||
implicit none
|
||||
integer, intent(in) :: stop_id
|
||||
|
|
|
|||
|
|
@ -47,6 +47,7 @@ module results
|
|||
results_openJobFile, &
|
||||
results_closeJobFile, &
|
||||
results_addIncrement, &
|
||||
results_finalizeIncrement, &
|
||||
results_addGroup, &
|
||||
results_openGroup, &
|
||||
results_closeGroup, &
|
||||
|
|
@ -68,14 +69,14 @@ subroutine results_init
|
|||
write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5'
|
||||
|
||||
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
|
||||
call HDF5_addAttribute(resultsFile,'DADF5_version_major',0)
|
||||
call HDF5_addAttribute(resultsFile,'DADF5_version_minor',5)
|
||||
call HDF5_addAttribute(resultsFile,'DAMASK_version',DAMASKVERSION)
|
||||
call results_addAttribute('DADF5_version_major',0)
|
||||
call results_addAttribute('DADF5_version_minor',5)
|
||||
call results_addAttribute('DAMASK_version',DAMASKVERSION)
|
||||
call get_command(commandLine)
|
||||
call HDF5_addAttribute(resultsFile,'call',trim(commandLine))
|
||||
call HDF5_closeGroup(results_addGroup('mapping'))
|
||||
call HDF5_closeGroup(results_addGroup('mapping/cellResults'))
|
||||
call HDF5_closeFile(resultsFile)
|
||||
call results_addAttribute('call',trim(commandLine))
|
||||
call results_closeGroup(results_addGroup('mapping'))
|
||||
call results_closeGroup(results_addGroup('mapping/cellResults'))
|
||||
call results_closeJobFile
|
||||
|
||||
end subroutine results_init
|
||||
|
||||
|
|
@ -110,16 +111,26 @@ subroutine results_addIncrement(inc,time)
|
|||
character(len=pStringLen) :: incChar
|
||||
|
||||
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 HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar))))
|
||||
|
||||
call HDF5_closeGroup(results_addGroup('current/constituent'))
|
||||
call HDF5_closeGroup(results_addGroup('current/materialpoint'))
|
||||
call results_addAttribute('time/s',time,trim('inc'//trim(adjustl(incChar))))
|
||||
call results_closeGroup(results_addGroup('current/constituent'))
|
||||
call results_closeGroup(results_addGroup('current/materialpoint'))
|
||||
|
||||
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
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -173,9 +184,14 @@ end subroutine results_setLink
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
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
|
||||
|
||||
|
|
@ -185,10 +201,15 @@ end subroutine results_addAttribute_str
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_addAttribute_int(attrLabel,attrValue,path)
|
||||
|
||||
character(len=*), intent(in) :: attrLabel, path
|
||||
integer, intent(in) :: attrValue
|
||||
character(len=*), intent(in) :: attrLabel
|
||||
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
|
||||
|
||||
|
|
@ -198,10 +219,15 @@ end subroutine results_addAttribute_int
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_addAttribute_real(attrLabel,attrValue,path)
|
||||
|
||||
character(len=*), intent(in) :: attrLabel, path
|
||||
real(pReal), intent(in) :: attrValue
|
||||
character(len=*), intent(in) :: attrLabel
|
||||
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
|
||||
|
||||
|
|
@ -211,10 +237,15 @@ end subroutine results_addAttribute_real
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
|
||||
|
||||
character(len=*), intent(in) :: attrLabel, path
|
||||
character(len=*), intent(in) :: attrLabel
|
||||
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
|
||||
|
||||
|
|
@ -224,10 +255,15 @@ end subroutine results_addAttribute_int_array
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
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
|
||||
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
|
||||
|
||||
|
|
@ -720,7 +756,6 @@ end subroutine results_mapping_materialpoint
|
|||
!!> @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)
|
||||
! use hdf5
|
||||
|
||||
! integer(pInt), intent(in), dimension(:,:,:) :: material_phase, phasememberat
|
||||
! 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
|
||||
!!--------------------------------------------------------------------------------------------------
|
||||
!subroutine HDF5_backwardMappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog)
|
||||
! use hdf5
|
||||
|
||||
! integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat
|
||||
! character(len=*), intent(in), dimension(:) :: homogenization_name
|
||||
|
|
@ -941,7 +975,6 @@ end subroutine results_mapping_materialpoint
|
|||
!!> @brief adds the unique cell to node mapping
|
||||
!!--------------------------------------------------------------------------------------------------
|
||||
!subroutine HDF5_mappingCells(mapping)
|
||||
! use hdf5
|
||||
|
||||
! integer(pInt), intent(in), dimension(:) :: mapping
|
||||
|
||||
|
|
|
|||
|
|
@ -93,21 +93,24 @@ end function isDirectory
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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(len=:), allocatable :: getCWD
|
||||
integer(C_INT) :: stat
|
||||
integer :: i
|
||||
|
||||
call getCurrentWorkDir_C(charArray,stat)
|
||||
|
||||
if (stat /= 0_C_INT) then
|
||||
getCWD = 'Error occured when getting currend working directory'
|
||||
else
|
||||
getCWD = repeat('',len(getCWD))
|
||||
allocate(character(len=1024)::getCWD)
|
||||
arrayToString: do i=1,len(getCWD)
|
||||
if (charArray(i) /= C_NULL_CHAR) then
|
||||
getCWD(i:i)=charArray(i)
|
||||
else
|
||||
getCWD = getCWD(:i-1)
|
||||
exit
|
||||
endif
|
||||
enddo arrayToString
|
||||
|
|
@ -119,21 +122,24 @@ end function getCWD
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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(len=:), allocatable :: getHostName
|
||||
integer(C_INT) :: stat
|
||||
integer :: i
|
||||
|
||||
call getHostName_C(charArray,stat)
|
||||
|
||||
if (stat /= 0_C_INT) then
|
||||
getHostName = 'Error occured when getting host name'
|
||||
else
|
||||
getHostName = repeat('',len(getHostName))
|
||||
allocate(character(len=1024)::getHostName)
|
||||
arrayToString: do i=1,len(getHostName)
|
||||
if (charArray(i) /= C_NULL_CHAR) then
|
||||
getHostName(i:i)=charArray(i)
|
||||
else
|
||||
getHostName = getHostName(:i-1)
|
||||
exit
|
||||
endif
|
||||
enddo arrayToString
|
||||
|
|
|
|||
Loading…
Reference in New Issue