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.
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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.
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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
Franz Roters