c341ddd855
more modularization….
2012-07-26 13:58:47 +00:00
4ed68bb4ae
next round in modularization
2012-07-25 14:01:39 +00:00
e1faad8bcf
next round in modularizzation of solvers
2012-07-24 17:07:10 +00:00
882c44a61d
changed the majority of debugging output to level "extensive"
2012-07-24 15:29:23 +00:00
15c5131874
corrected formulation of maximum height of screw dislocation dipoles
2012-07-24 14:50:11 +00:00
9c0a161ec0
in case of regridding, undeformed configuration is written out correctly. Restart improve by reading in additional data from converged step.
2012-07-24 12:21:41 +00:00
c4c00f04f4
no dipole formation by stress decrease;
...
dipole dissociation rate proportional to "deltaDipoleLimit / oldDipoleLimit", not "deltaDipoleLimit / newDipoleLimit"
2012-07-24 06:57:37 +00:00
3d59fec305
further modularisation of spectral solver (only for basic scheme so far)
2012-07-23 10:12:31 +00:00
bd9e81fbec
intermediate, not working state of new solver structure
2012-07-20 15:33:13 +00:00
ad3f9d8050
removed old standalone AL solver and introduced new structure for solver zoo
2012-07-19 17:24:56 +00:00
7d4ff278cb
worked on the restart capabilities
2012-07-19 14:16:59 +00:00
13caf2d389
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-18 18:39:59 +00:00
a22163c2ae
reverted unwanted commit of Makefile
2012-07-18 12:34:46 +00:00
95d292b286
2012-07-18 12:31:07 +00:00
7c6fc121fd
condensed error reporting for constitutive_XYZ_init
...
removed erroneous check for structure>3
2012-07-17 17:36:24 +00:00
0fdd43b54b
minor clarification of file content and its use
2012-07-05 10:02:20 +00:00
4d09ef0648
changed variable name "debug_what" to "debug_level"
2012-07-05 09:54:50 +00:00
b69f446caa
added constitutive_none
...
added wrongly deleted "endif" statements
removed tmglib and refblas from linker command for lapack (Koen??)
xxxROOT is changed by setup_code unless commented-out... So had to delete '#' again.
2012-07-03 13:59:38 +00:00
aeb1e18268
passing of multiple make options possible now
2012-07-03 13:57:05 +00:00
7f10ab0996
corrected to consistent naming: "IMKL"
...
restored xxxROOT to commented-out auto entries.
commented-out currently unused PETSC parts.
added "refblas" and "tmglib" to LAPACK library inclusion (seems to be necessary since 3.2.1).
2012-07-03 12:36:54 +00:00
823013d485
new plasticity: none
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see material.config for necessary parameters (lattice_structure, elastic constants)
2012-07-03 11:16:38 +00:00
b4103b205d
parts of the material.config can now be set to echo their content back into the log-file (i.e. STDOUT / unit 6)
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use keyword "/echo/" before first section in the respective parts that you want to see echoed back into the log file.
2012-06-26 10:24:54 +00:00
767842acbf
now real time monitoring of DAMASK_spectral output to screen
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working with GNU Fortran as well (new checking for return code)
2012-06-25 09:03:19 +00:00
0606845f15
reordered calculation of current stiffness to enable restarting with different resolution
2012-06-22 09:20:23 +00:00
bd462d12c6
fixed some bugs in the regridding routine
2012-06-20 18:33:20 +00:00
d650972904
corrected some bugs concerning the regridding
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prevented FEsolving from potentially write to a none existing file
started to introduce petsc into the make chain (nothing happens if PETSC_DIR is not set)
2012-06-20 12:49:46 +00:00
f5eb8fcb25
fixed bug caused by the inconsistent sequence of slip and twin systems
2012-06-19 16:06:25 +00:00
481268c8c2
fixed closing of file (unit 222) statement in FEsolving.f90
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added missing keyword in mesh.f90 with ifndef Spectral statement (needed for Marc and Abaqus)
2012-06-19 14:33:24 +00:00
06be437bc9
added minRes to regridding function and writing out of new geometry file
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updated f2py wrapper to enable the use of init functions.
added 2 new error messages to io
2012-06-19 13:31:15 +00:00
8537e87b7e
added shell scripts to run tests from crontab, improved numbering in spectral compile tests and added some first files for testing restart capabilities of spectral solver.
...
added configuration file for generation of code documentation using doxygen
restart of spectral solver is fixed and seem to work now also for restart at significant deformation.
spectral solver now gives exit code 2 if some increments did not converge
2012-06-18 15:27:01 +00:00
d9c6f9e134
switch on restartRead logical when requested by "--restart" cmdline switch
2012-06-18 09:27:36 +00:00
380f40561b
first calculation of Tstar still used hard coded Hooke, now usese constitutive_TandItsTangent(...)
2012-06-18 07:26:34 +00:00
b2fd3e1180
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only.
...
Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver.
Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile.
Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 16:10:21 +00:00
eb39d332bd
ULTRA OPTIMIZATION wasnt working anymore, seems to be related to Bertholds update of ws12 and ws13. had to remove -static from optimization string to be able to link again. Added some support for IKLM, but this didn't solve the problem
2012-06-13 17:19:16 +00:00
3ef17c208b
set default lapack to lapack instead of acml, added definition of makro for spectral solver for later use in preprocessor
2012-06-13 13:45:58 +00:00
052b526bde
made compilation of spectral code a command line switch and removed interactive question
2012-06-13 13:42:00 +00:00
7754416b35
now both getSolverJobName and getSolverWorkingDirectoryName use unit 5!
2012-06-13 09:58:06 +00:00
d3d0cfdab1
common blocks from 2012
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updated setup to also create DAMASK_marc2012.f90
2012-06-13 07:30:27 +00:00
a5c27f22ca
now uses unit 5 for file name inquiery (unit 6 points to stdout in 2012, might be a bug though)
2012-06-13 07:28:43 +00:00
5b7f2e122e
fixed usage of OpenMP function library
2012-06-12 09:44:05 +00:00
fc7b4d6471
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy
...
deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 15:11:30 +00:00
fa7f9866df
removed phase contrast/preconditioning
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added information on itmin in output, impoved output
set exit code to 0 on successful termination (seems to be unix standard)
exit codes:
0: successful termination
1: error (using IO_error)
2: require regrid
updated the AL solver, still VERY experimental
2012-06-05 16:34:20 +00:00
4b6800b89a
removed some unwanted open statements when writing out the sizeState
2012-06-05 13:13:33 +00:00
01522cf6f2
check for valid elasticity model
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improved error message in case of unknown elaticity/plasticity model
2012-06-02 14:23:28 +00:00
3af9165b08
useless debugging inforomation (asking for elastic moduli output) is removed
2012-05-31 09:25:04 +00:00
145d971d7e
added some debug output
2012-05-30 08:05:36 +00:00
5cc73a15a9
small correction in debug output
2012-05-30 07:41:22 +00:00
0127828f70
corrected initialization order
2012-05-29 15:08:18 +00:00
e1c5671e1f
relaxed error message triggering such that purely elastic calculations and more than one constitutive instance using hex lattice are possible. no twinning possible if no slip system exists
2012-05-24 14:08:48 +00:00
1003cfa7f8
added missing space in makefile, made removing of old files in Makefile silent and updated files for tests to current versions
2012-05-23 18:08:34 +00:00
c607441717
(likely) fixed a bug in the FFT-based geometry reconstruction. For (hopefully) correct math see Appendix B in paper.
2012-05-22 18:35:15 +00:00
bbf790a0a5
Input parameter 'QedgePerSbSystem' which denotes activation energy for each shear band system is added
2012-05-22 16:10:28 +00:00
9201133913
activated keyword expansion
2012-05-22 12:45:37 +00:00
cec3357e8f
corrected bug causing wrong element construction when using spectral solver. Also improved error messages for invalid resolution, dimension, and homogenization.
2012-05-21 09:06:02 +00:00
20f203f799
allow minimum stable dipole height equal to zero; ensure that maximum stable dipole height is not smaller than the minimum value
2012-05-20 13:57:35 +00:00
5b02d4e8eb
dipole dissociation and formation by change in stress as new mechanism in deltaState; had to add dipole height to state variables, which is however updated by deltaState instead of microstructure; alternatively microstructure had to know the current stress state
2012-05-18 14:35:52 +00:00
4da6907648
moved remobilization of dead dislocations from dotState to deltaState
2012-05-18 13:35:44 +00:00
a5c1624648
check for invalid mesh type once in constitutive_init and not every time constitutive_nonlocal_dotState is called
2012-05-18 13:15:23 +00:00
8c849d62ee
small corrections for how to treat the new deltaState in FPI and euler integration; all integrators successfully tested with j2
2012-05-18 13:00:15 +00:00
abbae76c51
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 15:25:21 +00:00
351c2c6e65
deltaState depends on the current state, no the state at the beginning of the timestep
2012-05-17 12:18:30 +00:00
f6d5efeed3
removed arguments Fe and Fp from collectDeltaState function call
2012-05-17 11:04:22 +00:00
a54439e3b5
dotState does not have to be reset to zero. this is a remnant from older versions when the dotState for the nonlocal model used to be updated by the neighboring integration point
2012-05-16 15:35:14 +00:00
84d4652a07
all constitutive modules now contain a new function "deltaState", which in the future allows to have an instantaneous and incremental change of the state (additional to the rate based evolution with dotState).
2012-05-16 14:43:26 +00:00
df2d520630
stripping abaqus comments is now aware of damask comments
2012-05-15 14:59:26 +00:00
701cf2e71b
replaced duplicated math entry by missing mesh entry
2012-05-15 14:58:47 +00:00
0d745adfa0
corrected NaN in prec_single.f90 (was already silent but with typo), polished output and added switch in order to check range on all files except of prec.f90 (in which NaN is defined)
2012-05-11 12:46:17 +00:00
7ee368f324
check whether there is any constitutive output
2012-05-11 07:38:20 +00:00
f8f9c089d6
check for NaN in math_QuaternionInSST
2012-05-11 07:37:32 +00:00
babf2647fb
use non signaling version of NaN
2012-05-11 07:35:52 +00:00
ce83026965
corrected bug in fft based geometry reconstruction causing mirrored geometries
2012-05-09 14:56:25 +00:00
d11aa15a67
changed indices counting (fortran to python style, easier division to get rid of periodic copies)
...
corrected f2py pyf file
2012-05-09 10:09:56 +00:00
fbd075dc6e
corrected automatic determination of resolution
2012-05-08 15:12:43 +00:00
c752dd5474
regridding is now working, changed the subroutine into a function
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changed order of arrays in nearest neighbor search to make it fortran fast
constitutive.f90 and homogenization.f90 write state size out during initialization
setup/setup_processing.py is using byterecl to be compatible with binary files written out by solver
2012-05-08 14:57:06 +00:00
a9a72cee97
fixed bug in nearest neighbor search, corrected error message for kdtree2.f90
2012-05-08 13:16:59 +00:00
eb8265b914
fixed potential division by zero error discovered by our American friends
2012-05-08 07:16:00 +00:00
bdc46a8828
using better measure (norm) of phase contrast for preconditioning
2012-05-07 08:12:13 +00:00
4b18278781
reworked neares neigbor search subroutine, now also works for voronoi tesselation (general nn search in periodic cell)
2012-05-04 13:07:37 +00:00
863f0c766e
removed line continuation causing trouble
2012-05-04 08:19:12 +00:00
b4775249e8
corrected standard check to make f2py working with gfortran
2012-05-03 17:12:36 +00:00
26c6063a2c
utf8 encoding output to screen now for all solvers using intel ifort>10 or any gfortran (old versions might not support it, but we don't use them anyway)
2012-04-28 10:46:41 +00:00
dbeac18df6
no more dropping of comments in Abaqus input file assembly
2012-04-27 14:33:39 +00:00
83e89fba3c
improved regridding, especially interfacing to python (also for nearest neighbor search)
2012-04-24 17:02:27 +00:00
e33c34d86b
corrected wrong integer arithmetics in calculation of coordinates in DAMASK_spectral.f90
2012-04-24 16:59:38 +00:00
83e22c00a2
added missing allocation of slopeLnRate array.
...
changed parsing to lowercase name.
2012-04-20 12:18:38 +00:00
d2c4874db3
several small corrections/polishing
2012-04-20 11:58:41 +00:00
c889d20ba0
added simple preconditioning to improve convergence for high phase contrast materials in standard algorithm
2012-04-20 09:42:57 +00:00
caff3124fd
changed multiplier keyword from "times" to "copies of" to prevent ambiguity.
2012-04-17 10:05:49 +00:00
dbc5a3a3ce
subnodeparent check is now running only over actual number (not max) of parent nodes...
2012-04-17 09:19:44 +00:00
f905a97cdf
fixed bug (causing sigsev) concerning new functions mesh_spectral_get***
2012-04-12 08:03:08 +00:00
8c559cbdc9
fixed bug concerning file handling.
2012-04-11 18:46:36 +00:00
37fa6c2e14
merged code for python and spectral solver interfacing (shared most of it anyway).
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put functionality for getting header information (dimension, homogenization, resolution) in functions in mesh.f90
2012-04-11 17:28:08 +00:00
a18e5e48dc
added 'times' keyword in function for continuous int values: "4 times 1 => 1 1 1 1", mainly for geom files of spectral solver.
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corrected name for contin"U"ousIntValues functions
2012-04-11 17:24:50 +00:00
91cfd21c88
corrected some copy and paste errors
2012-04-11 14:12:30 +00:00
9a92d343dc
added Onurs modified description for tausat in j2 law.
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Polishing phenopowerlaw
2012-04-11 14:01:02 +00:00
f2da887899
added missing ":" in mesh.f90, introduced absolute stress tolerance for spectral solver in numerics.config/numerics.f90
2012-04-11 12:57:25 +00:00
f20cecd421
integrated subroutine for regridding into mesh.f90 and made it available for python
2012-04-10 15:15:46 +00:00
d638c563af
reworked python - fortran interfacing
2012-04-10 13:30:34 +00:00
b17740c9c3
corrected misplaced line for linear guessing
2012-04-06 14:23:06 +00:00
79592d2f0f
get debug info for spectral solver as well
2012-04-05 09:17:09 +00:00
990f547091
improved AL solver, now using guesses for P(x) to improve performance. Changes (and whole solver) still experimental
2012-03-31 12:41:46 +00:00
91a70b0fb3
before turning terminally ill report at which g,i,e crystallite did not converge
2012-03-30 13:16:45 +00:00
c29ae95af7
new version of AL spectral solver (seems to work, but still experimental)
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new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files).
polished and renamed the scripts for converging ang files
renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-29 19:54:31 +00:00
17826d7c98
now initializing planner flag for fftw with useful value even if init wasn't executed
2012-03-26 10:03:39 +00:00
7947ae36b3
changed default value of err_div_tol
2012-03-22 10:33:54 +00:00
00de182873
corrected if statement to check assembly of input files
2012-03-22 07:44:46 +00:00
44d8282863
corrected reading in of ABAQUS debug modes and made numbering scheme for debugging depending on variables hoping to prevent these errors in debug.f90
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Put all (now public) logicals in FEsolving.f90 again into one specification statement
2012-03-21 18:04:52 +00:00
15dd860de9
new switch "SOLVER", set it to SOLVER=AL to compile the Augmented Lagrange version of the spectral solver
2012-03-21 18:01:25 +00:00
131c9ac93e
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 15:00:36 +00:00
8a2f2c5a95
stress iteration loop now uses generalized elasticity by calling TandItsTangent
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the anlalytical tangent calculation should now be adopted to also use TandItsTangent
2012-03-21 10:57:27 +00:00
8d8a8103eb
lastIncConverged, outdatedByNewInc, and cutBack need to be public as well!
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please keep in mind the FEM interfaces which also need to work!!!
2012-03-21 07:51:07 +00:00
dbdc7ddfa2
debug.config, debug.f90, DAMASK_abaqus_exp.f, DAMASK_abaqus_std.f: changed to new debug scheme (wasn't working)
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lattice.f90, FEsolving.f90: explicitly defined public functions and variables, all others are now private
numerics.f90: changed output format of real numbers, now instead of 0.1eX 1.0e(X-1) is printed to screen
Makefile: now using correct Optimization flags for OPTIMIZATION=AGGRESSIVE
DAMASK_spectral_AL.f90: improved, but still testing. Stress BCs now seem to be handled correctly
2012-03-20 18:01:31 +00:00
04d83ec9cd
added "-assume byterecl" in Makefile for ifortran to specify with "recl=" the size of the file in bytes instead of 4byte chunk when opening files. (same as in gfortran per default).
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no important changes in other files
2012-03-20 12:26:21 +00:00
012d568cf8
slightly restructured divergence debug output
2012-03-19 16:41:55 +00:00
632d57cc31
corrected div calculation regarding dimension and resolution
2012-03-19 13:19:15 +00:00
5263366615
adding switch in material.config for short range stress correction
2012-03-15 14:58:12 +00:00
7330031579
corrected special treatment of periodic images in calculation of stress correction
2012-03-15 10:08:08 +00:00
d4463fe56a
shifted location of elasticity part closer to plasticity... (constitutive has been shaken back and forth quite a bit today ;-] )
2012-03-15 09:51:33 +00:00
ea634d978a
adapted comments to recent change
2012-03-15 09:47:32 +00:00
b7fc4fe6e4
fixed one last typo, now it finally compiles, sorry for this!
2012-03-15 09:42:33 +00:00
4d90d90886
last comment also holds for this one
2012-03-15 09:25:15 +00:00
70a44fbbdd
constitutive models need to skip new keyword elasticity when reading their arameters
2012-03-15 09:22:24 +00:00
503f6ed040
i think it's elasticity not elaticity, right?
2012-03-15 08:46:51 +00:00
36edb4dd9f
introduced keyword elasticity in material.config
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added constitutive_TandItsTangent and special version constitutive_hooke_TandItsTangent
those are however not yet used and need to be tested
2012-03-14 16:16:11 +00:00
9cbbb7cab5
Dead dislocations are treated the same as mobile dislocations for the flux part though they do not contribute to slip. By that the pileup of dead dislocations is able to diminish with time (kinetics are the same as for the glide part; this is not correct but gives valuable results). Also remobilization of dead dislocations at neighbor is taken into account for flux.
2012-03-14 15:32:50 +00:00
6bca2150f2
local stress correction of gradient in dead dislocations and neighboring excess density is additive
2012-03-14 15:24:19 +00:00
06c93435f2
viscosity term in kinetics law proportional to resolvedstress minus forest term
2012-03-14 15:18:36 +00:00
c2f5cebacb
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 13:56:50 +00:00
2b5ed4ab93
corrected name of makefile (first letter upper case)
2012-03-14 11:58:05 +00:00
d2652cae47
multiplication only controlled by screws
2012-03-13 14:19:36 +00:00
433d8a338c
missed several occurences of constitution
2012-03-12 14:43:19 +00:00
c9ed989dad
replaced keyword constitution with plasticity in preparation of upcomming generalized elasticity
2012-03-12 14:09:37 +00:00
efd653fb00
removed old *.output* and *.spectralOut as they are not updated anyway from reference.
...
introduced a numbering scheme for variants
calculated new reference results due to slight changes
2012-03-09 16:30:42 +00:00
ac5dd14c5f
removed some small bugs in IO.f90 (related to initialization of variables)
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DAMASK_spectral.f90 adopted to new debug scheme, substituted print with write statements
2012-03-09 15:22:52 +00:00
bd9667bd4b
added new, flexible debugging scheme.
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now all modules have their own debug specification.
compiles and runs, I hope nothing is broken
did a lot of polishing
2012-03-08 20:25:28 +00:00
dec9451b1e
first draft of the Augmented Lagrangian based algorithm, still experimental
2012-03-07 17:37:40 +00:00
2a7888c7e1
removed (in IO.f90) a dangerous initialization statement.
...
Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4
for more details.
Other files are just a little bit polished
2012-03-07 10:07:29 +00:00
d00c3c9e19
added error for to IO to substitute stop statement in kdtree2
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explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 14:52:48 +00:00
17e9698659
added time_sensitive flag to ignore or add time sensitive component to analytic jacobian (should be close to perturbed jacobian when ignored)
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now uses sub_dt for analytic jacobian calculations
bug fixes
2012-03-01 19:42:43 +00:00
df03dee91c
improved readability, removed archive statements. With new option FASTBUILD=YES build without any warnings etc
2012-03-01 19:34:42 +00:00
211f66a728
added elastic stiffness matrix as crystallite output
2012-03-01 13:06:09 +00:00
040e244993
Added stress-order terms to analytic stiffness
2012-02-27 17:40:28 +00:00
99d6dcecb5
fixed bug in calculation of analytic jacobian (should work much better now). parallelized analytic jacobian calculation loop
2012-02-24 14:07:46 +00:00
f2ee67d03d
disabled multi file optimization when setting OPTIMIZATION=OFF and improved comments on compiler switches
2012-02-24 13:38:15 +00:00
1042ac018f
output values used for Lp_frac and analyticJaco
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improved comment for Lp_frac on numerics.config
2012-02-24 08:21:18 +00:00
478a6d110c
mixed things up, did not want to commit constitutive_nonlocal.f90 but rather DAMASK_spectral.f90!!!!
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did a lot of polishing on constitutive_nonlocal.f90 (mostly checked in at last commit), for changes on DAMASK_spectral.f90 see previous message
2012-02-23 17:20:57 +00:00
a98832100f
introduced itmin parameter for spectral code for defining minimum number of cycles
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removed simplified_algorthim flag because the basic scheme using the polarization field will not be implemented
introduced divergence_correction flag for making divergence criterion resolution-independent (still experimental and not set by default)
corrected output and restart frequency (now modulo on incs of current load case)
2012-02-23 16:43:17 +00:00
989a2b2d39
added default entries for Lp_frac and analyticJaco
2012-02-23 10:53:15 +00:00
28d654d61e
forgot to remove some print statements in previous commit
2012-02-22 20:22:54 +00:00
b9a82156c9
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config
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math.f90: added math_mul3333xx3333…
numerics.f90: to read in analyticJaco and Lp_frac
2012-02-22 20:11:09 +00:00
9bf5b9dc86
dotState=NaN enforces cutback, if evolution rates lead to negative densities
2012-02-22 16:08:22 +00:00
21db79ce25
automated copyright information seems to be very complicated, not working yet
2012-02-22 14:06:28 +00:00
e25f605838
still trying to add copyright information by keyword via svn
2012-02-22 13:56:03 +00:00
20fdd302d7
trying to add copyright information by keyword via svn
2012-02-22 13:47:39 +00:00
ca401292e7
2012-02-22 13:46:33 +00:00
ca59c9936f
trying to add copyright information by keyword via svn
2012-02-22 13:43:35 +00:00
b0e2707a94
trying to add copyright information by keyword via svn
2012-02-22 13:40:03 +00:00
d68a3d1869
added LF=UNIX to a bunch of files
2012-02-22 13:30:00 +00:00
d8ffc29236
again: adding pInt, removing redundant use statments, chang in dble to real(,pReal)
2012-02-21 16:31:37 +00:00
9dc730dea4
now getting path separator by counting slashes and backslashes in $PATH environment variable
2012-02-21 16:04:16 +00:00
79663a7f76
polishing: adding pInt, removing unused use-statements etc
2012-02-21 16:00:00 +00:00
23cda48709
cleaning up, removing includes not needed
2012-02-21 15:42:47 +00:00
87a83d82b7
changed assumed arrays (:) to properly defined ones (gfortran 4.7 was complaining) and remove use statements that are not needed
2012-02-21 15:39:36 +00:00
8dc6e256c0
choose textures and phases of example materials according to what the labels suggest
2012-02-21 13:16:59 +00:00
97b2240fe9
take absolute dislocation velocities when testing Courant-Friedrichs-Lewy condition
2012-02-21 13:11:47 +00:00
6c0f9d163b
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard.
...
removed cut_off parameter for damask_spectral
removed outpot of derived divergence measures and added RMS output in brackets
added comments and options to the makefile
2012-02-15 18:58:38 +00:00
db06c797cd
store number of outputs for each instance of the constitution in constitutive_[j2/titanmod/...]_Nouput and use this value to loop over all valid outputs when determining the size of the outputs array
2012-02-14 15:19:59 +00:00
49a964aeda
removed public statement in derived data type causing trouble on older compilers
2012-02-14 13:56:35 +00:00
8f22d5a324
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 13:43:36 +00:00
d9522bf588
minor changes, substituting implicit type conversions with explicit ones
2012-02-14 12:17:47 +00:00
30c55c3142
added check for unknown keywords again (in agreement with Philip ;-)
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indeed 'constitution' and '/nonlocal/' are the only keywords which have to be ignored, since they are parsed elsewhere
2012-02-14 09:22:37 +00:00
9b73cb3c65
removed parameter check complaining about unknown keyword as default case. there are just too many keywords that do not trigger a variable assignment to cope with them (e.g. /nonlocal/, constitution, etc.)
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I suggest to kill similar logic from other files if present somewhere...
2012-02-13 23:30:59 +00:00
c786336af3
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore.
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all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 17:41:27 +00:00
dd51e1da81
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 17:15:02 +00:00
94100e8d8e
missing line break
2012-02-13 15:21:03 +00:00
156ec4582a
polishing, adding _pInt etc. where applicable
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post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 14:18:07 +00:00
f03e7c459c
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 14:08:07 +00:00
a6864bf599
added missing 'dotF'
2012-02-13 12:41:44 +00:00
df07299f78
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 12:38:46 +00:00
fa32a00d56
changed symmetryID initialization to integer (instead of float) value
2012-02-10 17:46:43 +00:00
b211c13487
added "dotF" synonym to load case parsing.
2012-02-10 17:45:45 +00:00
1cc2315954
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing
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makefile now calls compiler with lot of warning flags
2012-02-10 11:59:59 +00:00
37ac7bf1b4
fixing inconsistencies in variable assignments
2012-02-10 11:56:05 +00:00
cff66b5cc3
removed implicit type castings
2012-02-10 11:24:53 +00:00
26b4f886ba
whoops, accidentally removed _pInt in the IO_error calls which where previously added by Martin
2012-02-10 07:58:33 +00:00
ff53b9754b
somewhat better readable format without as much linebreaks
2012-02-10 07:50:29 +00:00
7a23833a39
removed line>132 characters, added _pInt when calling IO_error
2012-02-09 17:28:55 +00:00
0e2894f2b1
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 15:58:15 +00:00
724ec040a2
added pInts and pReals
2012-02-09 15:55:04 +00:00
dced3f9430
changed FFT reporting of dimension and resolution to one line each.
2012-02-09 13:18:59 +00:00
195491aaaa
added missing pInts
2012-02-09 12:35:55 +00:00
a26456f9c0
now handling capitals in restart argument correctly
2012-02-09 12:20:14 +00:00
e7d407c2f6
crystallite_Fp has to be initialized in crystallite_init, cause it is used by constitutive_microstructure
2012-02-03 14:52:09 +00:00
5ddade27fc
changed Peierls stress to more realistic values for fcc
2012-02-03 13:12:45 +00:00
d62eddc0cd
corrected kinetics law and changed parameters. For solid solution hardening there are 3 parameters: the activation energy, the concentration of obstacles that determines the activation length and meanfreepath, and the obstacle size that determines the activation volume. For the Peierls mechanism there is: the width of doublekinks that determines the activation volume and the Peierls stress for edge and screw.
...
Still testing needed to check whether the current formulation makes sense or not.
2012-02-03 12:50:54 +00:00
bbf4f25898
renamed subroutine "mesh_marc_get_mpieOptions" to "mesh_get_damaskOptions" which is now also used for abaqus and spectral input files. The only available option so far is "periodic", which allows for periodic fluxes in the specified direction. Examples for usage (add the following lines to the respective input file, in case of spectral file this goes into the header):
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- periodicity in x and z direction for marc:
$damask periodic x z
- periodicity in y direction for abaqus:
**damask periodic y
- periodicity in x and y direction for spectral:
periodic y x
2012-02-03 12:37:52 +00:00
7e23f84d2c
new subroutine find_nearest_neigbor, basically a wrapper function for our purpose to kdtree2
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split up kdtree2.f90 again from math.f90 to make the files better accessible
2012-02-02 15:57:22 +00:00
72aeb2113a
minor improvement on the still not working long (polarization field based) algorithm
2012-02-02 13:20:09 +00:00
faed4ec232
added deallocation of arrays (fftw_free)
2012-02-02 13:19:35 +00:00
2e4f2f3d9c
added _pInt where appropriate
2012-02-02 13:19:02 +00:00
683384681a
doing average correction now in Fourier space, now sure that the constant term is correct.
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changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-01 20:30:27 +00:00
c6fb2122be
added some comments for further debuggin/compliance with standard checking
2012-02-01 20:28:58 +00:00
c5128e94eb
some f2008 standard related correction i didn't check in last time
2012-02-01 20:20:05 +00:00
800e291240
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier
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added compiler switches for gfortran and ifort to check for standard conformity
old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-01-31 19:18:55 +00:00
80583fefb5
added compilation_info.f90, to store compilation date,time and compiler info in each file
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added #include statement at each init() routine
2012-01-31 14:54:49 +00:00
8cf67e1be6
corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.
2012-01-30 20:25:04 +00:00
9464937db7
merge declaration and initialization with standard values
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corrected handling of $DAMASK_NUM_THREADS
2012-01-30 20:16:19 +00:00
eeda357710
N^2 initialization loop (former spectralPictureMode) rewritten in material.f90
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additional output in DAMASK_spectral_interface.f90
132 character cut off in constitutive_nonlocal.f90
rounding error in math.f90 complex number initialization (1.0_pReal)*2.0_pReal*pi
new $DAMASK_NUM_THREADS warning in numerics.f90 / IO.f90
polishing in DAMASK_spectral.f90
2012-01-30 13:52:41 +00:00
4edd824d8c
forgot homogenization.f90 in last commit
2012-01-26 13:51:01 +00:00
1330576a01
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor
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renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 13:50:00 +00:00
df931890e0
corrected typos
2012-01-26 12:50:04 +00:00
6fec57bbd7
replaced variable fraction by "timefraction"
2012-01-26 12:48:59 +00:00
5a658d1b82
dislocation velocity output for each dislocation type (edge+,edge-,screw+,screw-)
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for fcc constitutive_nonlocal_kinetics is called only once and the result is used for each dislocation type, for all other lattice structures we have one call for each dislocation type
2012-01-26 07:43:36 +00:00
e5407894b5
Reworked kinetics. Now there is a universal law which can be used for both fcc and bcc (and probably even hcp). It mainly consists of an athermal forest cutting part , solid solution and peierls as thermally activated processes, and viscous glide. Therefore, lots of new parameters in the material.config. Not sure yet if the values make sense though.
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Also renamed some of the old parameters.
Unknown constitutive output raises error.
2012-01-25 17:04:37 +00:00
e6495c986b
corrected order of arguments for calling functions from python, small polishing in math.f90 (substituting manual summation by sum() )
2012-01-25 14:31:21 +00:00
fa372523a8
added and restructured comments
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debugGeneral = .true. now enables the additional output
restructured the debug options
started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config
corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 14:27:26 +00:00
884249aba8
removed hint how to patch fftw, added flag for gfortran to check if maximum length of source files do not exceed 132 characters
2012-01-25 14:24:08 +00:00
bd48620de2
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 10:30:39 +00:00
e7ac99eeca
for spectral solver, --restart XX sets restartReadInc to XX-1, meaning restartReadInc is the step to read and XX the step at which the calculation begins
2012-01-25 09:05:38 +00:00
656d7a68d2
one new error message for spectral solver
2012-01-25 09:00:40 +00:00
3e521e32a6
indroduced 3 more flags for fine control of spectral algorithm
2012-01-25 08:56:46 +00:00
52a43c3b32
improved help output and corrected triggering (-h, --help) of help
2012-01-25 08:54:37 +00:00
0cb90d4926
corrected debug_verbosity glitch (missed ">0" in logical expression)
2012-01-23 13:32:37 +00:00
4980f57fd5
added total Green-Lagrange strain to crystallite outputs
2012-01-20 10:25:35 +00:00
43bd667f78
switched array indices of curl_fft in accordance with math.f90
2012-01-19 20:39:33 +00:00
a13aeb045f
corrected curl_fft subroutine
2012-01-19 20:38:52 +00:00
1032ff3d47
corrected definition of element base node, which was still flawed
2012-01-19 14:15:26 +00:00
6c2a61e489
corrected node coordinates and sorting for spectral method
2012-01-17 16:53:56 +00:00
8739b9522e
dislocation stress does not add to stress field anymore, but is only available as constitutive output for purposes of postprocessing. instead, we now use a backstress term (which is added to the resolved shear stress) that depends on the gradient of excess density on the same slip system.
2012-01-17 10:26:57 +00:00
ab7b9247c7
final merge with edits dropped intermediately from rev 1190.
2012-01-16 15:10:16 +00:00
3a22bf7e27
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly)
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renamed "steps" consequently to "incs"
moved kdtree2 to math.f90, put original source to private folder
2012-01-13 16:18:16 +00:00
c644b2c24d
corrected rectifyPath function (did not work in case of more than one /../..)
2012-01-13 15:22:42 +00:00
2259f44cb1
added parameter for debugging of FFTW in spectral method
2012-01-13 15:21:24 +00:00
07186e0751
added output of precision to init
2012-01-13 15:20:29 +00:00
f3bb2271c9
parsing of spectral geom file now accepts two-dimensional microstructure definition (plus range indications by 'x to y')
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For instance:
1 2 3 4
5 6 7 8
9 10 11 12
...
2012-01-12 17:01:24 +00:00
11c71aae86
bugfix release
2012-01-12 16:31:23 +00:00
83ff05c8e8
fixed bugs (sorry...)
2012-01-12 15:08:44 +00:00
2ea3c68d3f
removed spectralPicturemode
2012-01-12 10:36:17 +00:00
7103a44d45
renamed debug variables, plus additional "beautification".
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renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 10:23:05 +00:00
a7d9d711f6
edited lines exceeding 132 chars (before any comment started)
2012-01-11 16:56:35 +00:00
c54600fd1f
added kdtree2 source and changed makefile to compile it.
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started to implement the nearest neighbor search for regridding
corrected calculation of divergence in real space.
corrected handling of maximum stress deviation (removed mask)
2012-01-04 17:43:26 +00:00
ee401520d7
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 12:30:35 +00:00
6dee2616f5
added help info how to use the executable
2011-12-23 12:29:04 +00:00
99fa0e0be8
corrected calculation of curl (last version was more a dummy function)
2011-12-23 12:23:13 +00:00
e62d083f7a
removed (virtually) dead single-precision branch of the spectral solver.
2011-12-22 13:19:27 +00:00
35bd460e39
added "core" package capability to processing
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(renamed former f2py modules)
reverted pathinfo...
2011-12-22 10:36:59 +00:00
f463c2da70
added addCurl.py, not sure if it works correctly. still in old (eq. to addDivergence.py) style
2011-12-21 17:25:31 +00:00
b0ba5f7ba3
code setup now takes BLAS in order of precedence from IKML, ACML, and LAPACK.
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Leave pathinfo blank for BLAS-options that are not available (like IKML typically)
2011-12-20 10:58:51 +00:00
c4a4c5cdca
corrected error in apply_DAMASK_modifications
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added support for Marc/Mentat2011 (classic)
2011-12-19 16:06:03 +00:00
739c524848
makefile substitution now based on regexp match.
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condensed makefile syntax.
can now use a system-defined LAPACK instead of ACML (required for OS X...).
fixed bug that 'ULTRA' was not using -O3 for most of the compiling...
2011-12-16 09:11:03 +00:00
a8dece8694
adopted use of general damask package ("import damask" instead of "damask_tools")
2011-12-15 08:52:41 +00:00
b2547e0117
Math inversion used to return zero (math_inv3x3) or error (math_invert3x3) for negative determinant. Now checking whether the absolute(!) value of the determinant is close to zero to avoid singularities, negative determinants are very well allowed.
2011-12-14 08:55:24 +00:00
031a00237f
improved makefile, no directly linking to files of acml
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corrected default pathinfo
improved test for intel compiler
2011-12-09 16:34:53 +00:00
7d1d2b6229
corrected small mistake in setup_code and makefile
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test no. 1500, spectral compile test with intel compiler is now working. adjusted run_test and tamask_test
2011-12-09 15:13:27 +00:00
2ceb78c337
introduced new damask_tools method "relPath" and adopted it in setup_processing.py and setup_code.py
2011-12-06 18:38:03 +00:00
ea0fe7b406
corrected 3D visualize (math.f90 part was not working)
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small polishing of voronoi_tessellation.f90
2011-12-06 17:46:33 +00:00
5ebeb96e85
made DAMASK to work with gfortran:
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-removed to long lines
-restructured f2py modules and merged make_DAMASK2Python into setup processing
-setup_code.py now sets library path in makefile and asks for compile switches for spectral code
-substituted \ in format strings with $
restructured DAMASK_spectral:
-more logical output and structure of code
-better input for spectral debug parameters
2011-12-06 16:58:17 +00:00
efadf9f728
mainly fixed error in output of spectral results (1:N,…) instead of (N,…)
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rearranged some logic here and there.
(hopefully) improved readability of debug/standard output.
restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 10:01:32 +00:00
ace6851389
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly.
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polished math.f90 (mainly added _pInt/_pReal and intent(in/out))
curl_fft is still a dummy function
2011-12-01 12:01:13 +00:00
e738bee1e3
moved todolist to private tree
2011-11-28 08:18:07 +00:00
515986c4d6
renamed w0 and w0_slip to a and a_slip
2011-11-23 14:48:39 +00:00
f685bbba0e
exchanged location of "graincount" in user block.
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now matches wiki entry:
1. homogenization block
2. grain block
(grain count
sub-block[s] of crystallite and constitutive)
2011-11-23 09:09:00 +00:00
5a1e73b53d
added set_timelimit functionality to fortran-wrapper of FFTW and introcudec it to DAMASK_spectral.f90
2011-11-21 18:48:38 +00:00
566f16b6e9
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 18:12:40 +00:00
dc6c29a910
important bugfix for reading in results in case of restart
2011-11-17 22:11:05 +00:00
5ef73e164a
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding
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introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config
added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor)
added precision directive to all values I found
2011-11-15 17:54:18 +00:00
60c9293baf
restarting seems to work, spectral solver writes own defgrad to disk.
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step counting rectified
added additional output of deformation gradient volume min and max
2011-11-11 14:17:43 +00:00
860594d9a4
forgot to multiply shearrate with timestep in order to get accumulated shear
2011-11-09 10:26:00 +00:00
6dc8a4d530
check for LFC only if there is any slip activity at all; also increased safety factor from 1.2 to 1.5
2011-11-09 09:55:39 +00:00
7033e84fc7
new outputs "accumulatedshear", "velocity_edge", and "velocity_screw" (the latter two replace the output "dislocationvelocity")
2011-11-09 09:22:52 +00:00
de96e99bca
corrected determination of restartRead from commandline (now done by FEsolving instead of DAMASK_spectral_interface)
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recompiled fftw libraries with --enable-shared to make them work with f2py
added draft for compilation test of spectral solver
2011-11-07 18:25:10 +00:00
8bc39fcd48
immobile density output keeps its sign
2011-11-07 15:46:40 +00:00
34adec74e8
corrected wrong indices into state array for velocity
2011-11-07 15:17:58 +00:00
49c0b8a3fd
restructured restarting capabilities
2011-11-07 11:04:57 +00:00
7dfb96a3da
constitutive_nonlocal:
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dislocation velocities are stored in the state, so we actually now have three "parts" of the state, the basic states that are updated by "constitutive_dotState" come first, then the dependent states that are calculated by "constitutive_microstructure" follow, and finally we have a last part reserved for other variables that just use the memory reserved by the state array and are updated somewhere else.
constitutive:
LpAndItsTangent does not need the full state, but only the local state, so changed that at least for the nonlocal constitutive law
2011-11-04 13:12:17 +00:00
9d1bc584d0
corrected stress integration scheme: now use norm(Lpresiduum) as a target function for Armijo's rule instead of whole tensor Lp; also corrected the guess for the improvement in Lp
2011-11-04 12:57:12 +00:00
ca3d21a3b6
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 12:44:50 +00:00
ee7022d8cf
correctet random seed generation to work with gfortran.
2011-11-04 10:29:35 +00:00
c2eac36b48
started to implement restart facilities for spectral solver.
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restart write is on per default
restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart
setting INT to a value <1 will turn restart write off
2011-11-03 19:32:11 +00:00
b9647b2584
moved parts into new "lib" folder
2011-11-03 13:21:11 +00:00
680ba9082f
removed deadlock when calling IO_warning(33)
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polished IO_error and IO_warning
checked OpenMP critical statements in DAMASK_spectral.f90
corrected writing of headed in DAMASK_spectral.f90
2011-11-02 14:38:42 +00:00
447e69019c
Introduced environment variable DAMASK_ROOT.
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It is set in the DAMASK root folder by running damask_env.sh
Much needed in the testing routines so far (try ./testing/run_tests.py)
damask_env.sh could also trigger other scripts to get to a working setup after fresh checkout. For example it could run
./processing/setup/setup_processing.py
./code/setup/setup_code.py
if it finds that we have a fresh checkout.
2011-10-27 17:55:42 +00:00
15c356c3a7
some small improvements regarding the rotation of the loadcase frame
2011-10-25 13:38:24 +00:00
c13aa2a829
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 18:26:34 +00:00
0f34d14bee
again edited the makefile, no there is more flexibility in defining the libraries (FFTW and ACML)
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added the source of fftw-3.3.tar.gz to fulfill the GPL
set_python_env.py was forgotten during last commit (for testing)
2011-10-24 16:57:51 +00:00
8ac1891b3c
moved DAMASK_NaN to prec.f90 respectively prec_single.f90 as it is precision dependent
2011-10-20 16:46:11 +00:00
ac342ad682
worked on the updating on increments, does not work properly until now
2011-10-19 09:05:02 +00:00
0a46741a77
changing header to correct number of increments
2011-10-18 16:42:06 +00:00
9d3f74ce5f
polishing
2011-10-18 14:46:07 +00:00
7746390688
using keywords to indicate geometry and loadcase
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enabled finetuning of FFTW
added some debugging options
reading in rotation of boundary conditions
using header in geometry file
corrected error in calculating tolerance for stress BC
polishing of output, variable declaration, and variable names
2011-10-18 14:45:32 +00:00
9a6977b024
changed commandline parameters into a keyword driven form
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use "-l, --load, --loadcase" to specify loadcase file and
"-g, --geom, --geometry" to specify geometry file
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:25:17 +00:00
ea2ba1573c
polishing
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!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:22:33 +00:00
7604a8aeb4
corrected calculation of NaN, renamed variable to 'DAMASK_NaN'
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!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:21:38 +00:00
6cf464b8a9
added 'spectralPictureMode' for reading in geometries with 1to1 mapping (e.g. EBSD pattern)
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polishing
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:20:29 +00:00
6ed27a2a13
added 'spectralPictureMode' for reading in geometries with 1to1 mapping (e.g. EBSD pattern)
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!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:18:05 +00:00
a8a53ee525
added two parameters to control behavior of FFTW, timelimit is not working at the moment
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remove fftw3.f as it is not needed anymore
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:16:18 +00:00
4989535500
new version 3.3 of FFTW. Compiled with gfortran but only for multicore support (single core library is still the old version 3.2.2). Now either POSIX threads or OMP can be used by choosing the corresponding library file
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Some further polishing (besides of new description for FFTW) of the makefile
2011-10-13 12:41:01 +00:00
8edb59d50c
removed some unused variables
2011-09-26 09:55:38 +00:00
58917b5abe
corrected error messages
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you can now switch of shear banding by seting sb_velocity to zero
stacking fault energy parameters are now read from material.config
2011-09-26 09:55:08 +00:00
2e263dee90
merged in the shear band code, it compiles but is not otherwise tested yet
2011-09-16 15:55:18 +00:00
Pratheek Shanthraj