27026c7f6a
fixed missing initialization of output in RGC that got lost in Rev 3452
2014-09-16 09:50:37 +00:00
1e8139452c
added functions for factorial, binomial and multinomial coefficients
2014-08-21 08:33:55 +00:00
715e7fd918
some small iprovements: reading in geometry in mesh, readability of math, output formatting in fesolving and debug, hdf5 in constitutive
2014-05-15 08:52:16 +00:00
4bb5439994
removed copyright from *.f90 and *.f files, will be added using the deployMe script for release/nightly build. Now based on presence of svn:keywords property set (usually "Id"). Similar thing will be done for .py, .sh, and .config files but more involved because they might be executable
2014-03-29 08:20:36 +00:00
a0d75ee05e
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 13:28:27 +00:00
aa4eee2b50
fixed bug in math_rotate_forward3333
2014-01-31 14:28:20 +00:00
98f677916c
fixed crash in RtoEuler for PHI=180°
2014-01-15 08:32:43 +00:00
5b4b132176
introduced preprocessor statements in mesh to hide unneeded variables as a preparation for HDF5
2013-12-27 20:03:28 +00:00
c9ce8d2c52
some improvements on HDF5 test, polishing math
2013-11-22 10:31:52 +00:00
70c888f6ea
fixed a typo in documentation
2013-09-18 19:54:39 +00:00
ac92b90e0b
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 17:20:05 +00:00
5d7f7f1bc5
reverted accidently commited changes to Makefile.
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one public statement in math.f90 still prevented compilation of core module, fixed that
2013-06-07 07:27:12 +00:00
06b977ff61
added public statements to fftw functions and constants after whole math module is private now
2013-06-06 09:25:27 +00:00
622e2dcf15
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles.
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Now fixed with following convention:
Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-05 19:10:37 +00:00
755e0e2440
vtk files are now correctly written to current working directory.
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updated Lib_VTK_IO.f90
2013-05-08 16:10:21 +00:00
85d4a37d95
moved public data res,size and homog from mesh to DAMASK_spectral_utilities (as grid and geomSize)
2013-05-08 15:52:29 +00:00
2ba986be2a
introduced new dummy module "libs" for inclusion of further library sources. contains kdtree2 and Lib_VTK_IO at and is enabled for the spectral solver only at the moment
2013-04-16 12:45:12 +00:00
d80d416c32
2d elements now have a volume corresponding to a thickness of 1; used to have zero volume
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now also 2d elements can be used with nonlocal model
2013-04-09 18:07:30 +00:00
39a70e8a19
fixed bug in coordinate calculation when no average F was given (scaled wrong by ncp_elems**2)
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other changes: just polishing + some more comments
2013-03-27 12:28:55 +00:00
e25af5db04
added function for finding the (non-periodic) nearest neighbor
2013-03-27 10:14:44 +00:00
02f092492e
updated copyright header
2013-03-22 17:35:05 +00:00
b9e0326240
added function to calculate the gradient, addGradient.py will follow
2013-03-07 07:58:42 +00:00
1ce6028ad3
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-06 19:34:30 +00:00
7e0ea5dd04
hickups in doxygen documentation fixed
2013-03-05 14:35:26 +00:00
07ff1f7c93
reporting current time for most module inits
2013-02-25 16:34:59 +00:00
d8da2f60d8
added core module function math_periodicNearestNeighborDistances
2013-02-19 14:56:26 +00:00
c7c81a5ab5
removed unused variables and declared external functions as external
2013-02-11 09:44:17 +00:00
c2495d0d4a
changed misplaced private to public statement and renamed qsort to math_qsort
2013-02-01 07:26:21 +00:00
e74b5da19a
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.)
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changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0)
enabled 3D visualize to work with odd resolution by switching to linear reconstruction
PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case
further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 16:28:08 +00:00
093cf92338
remove omp statements during initialization, "line" for reading in from material.config now has a default (empty) value to prevent conditional jump depend on this value
2013-01-08 22:11:59 +00:00
19d86ca06a
removed unnecsessary omp statements, removed one transpose in constitutitve
2013-01-08 11:09:20 +00:00
b1f28ba5e7
made restart working for all solvers and added corresponding test
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corrected error handling for FFT based function in case of odd numbers etc.
2012-12-14 17:30:22 +00:00
1e32eb560e
corrected buggy calculation of Schmid matrix for twins introduced in rev1809.
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(stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!)
additional polishing.
2012-11-23 17:02:50 +00:00
11ed7fab86
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf)
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addCurl test is now done against analytical solution and working, added it to list of automated tests.
small improvements on test.py
2012-11-23 15:16:51 +00:00
7d196fbb25
polishing
2012-11-22 09:58:36 +00:00
1b2edd7e7d
fixed error in _identity (wrong delta-function)
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added _exp33 for matrix exponential
added trace33 for matrix trace
2012-10-12 17:54:20 +00:00
22812c9a91
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4
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new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing)
updated preprocessing for documentation to handle precision correctly
2012-08-30 20:26:28 +00:00
299d9e6bc4
fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random
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removed old random function used by halton
2012-08-30 14:58:30 +00:00
0959ff3299
substituted hand written matrix inversion by LAPACK version with precision selection.
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also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated)
Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 16:59:45 +00:00
efd1b513cf
fixed bug in divergenceFDM
2012-08-27 15:43:17 +00:00
96ba5ecae4
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90
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f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7!
changed python pre- and postprocessing scripts.
If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 08:04:47 +00:00
55a5112f36
added comments for doxygen documentation
2012-08-25 11:46:36 +00:00
405c3765bd
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 13:27:55 +00:00
13caf2d389
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-18 18:39:59 +00:00
4d09ef0648
changed variable name "debug_what" to "debug_level"
2012-07-05 09:54:50 +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.
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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
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
f8f9c089d6
check for NaN in math_QuaternionInSST
2012-05-11 07:37:32 +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)
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corrected f2py pyf file
2012-05-09 10:09:56 +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
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
83e89fba3c
improved regridding, especially interfacing to python (also for nearest neighbor search)
2012-04-24 17:02:27 +00:00
d638c563af
reworked python - fortran interfacing
2012-04-10 13:30:34 +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
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
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
23cda48709
cleaning up, removing includes not needed
2012-02-21 15:42:47 +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
8f22d5a324
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 13:43:36 +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
f03e7c459c
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 14:08:07 +00:00
cff66b5cc3
removed implicit type castings
2012-02-10 11:24:53 +00:00
0e2894f2b1
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 15:58:15 +00:00
dced3f9430
changed FFT reporting of dimension and resolution to one line each.
2012-02-09 13:18:59 +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
faed4ec232
added deallocation of arrays (fftw_free)
2012-02-02 13:19:35 +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
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
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
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
bd48620de2
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 10:30:39 +00:00
0cb90d4926
corrected debug_verbosity glitch (missed ">0" in logical expression)
2012-01-23 13:32:37 +00:00
a13aeb045f
corrected curl_fft subroutine
2012-01-19 20:38:52 +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
99fa0e0be8
corrected calculation of curl (last version was more a dummy function)
2011-12-23 12:23:13 +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
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
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
ee7022d8cf
correctet random seed generation to work with gfortran.
2011-11-04 10:29:35 +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
8ac1891b3c
moved DAMASK_NaN to prec.f90 respectively prec_single.f90 as it is precision dependent
2011-10-20 16:46:11 +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
8edb59d50c
removed some unused variables
2011-09-26 09:55:38 +00:00
ee83904548
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 13:26:00 +00:00
0469d37fc3
cleaned and restructured output on screen, changed L_inf norm to L_2 for calculation of error in Fourier space.
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removed unnecessary function from math.f90
added some documents/manuals regarding spectral method
2011-08-31 14:37:01 +00:00
8f90f1f1f9
corrected description of algorithm to invert matrix
2011-08-30 07:29:13 +00:00
4fb1cb8f87
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step,
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made convergence independent of size and resolution,
polishing output in DAMASK_spectral.f90
added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90
removed obsolete variable in numerics.f90
2011-08-26 14:06:37 +00:00
f99bf63397
removed functions added for debugging of divergence calculation to math.f90
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corrected calculation of stress BC condition. Depending on given BC, the stiffness matrix is reduced and than inversed. Then it is filled with zeros and used for the calculation of the correct change of deformation gradient. All calculation is done using dP/dF
2011-08-10 17:45:37 +00:00
34de2e301b
DEBUGGING VERSION for calculation of Divergence (various methods implemented). DO NOT USE. Wait for next update coming in a few minutes
2011-08-10 16:02:13 +00:00
3adb7ab382
corrected makefile, now working again without giving standard values explicitly.
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did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 10:11:32 +00:00
fb121b1435
* boundary condition masking changed
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* damper initialized with one
* inversion of Mandelized stiffness tensor does not work, have to use plain tensor
* new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 15:57:39 +00:00
1877026d86
sorry, dangling "endif"...
2011-06-14 14:35:55 +00:00
cc925cadee
changed output/debug-level relation for two statements
2011-06-14 14:08:13 +00:00
08d39342e4
reworked restarting for compatibility with abaqus (not yet fully working)
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added new orientation feature for direct simulation:
component type (random) asigns random orientation to an entire grain
2011-05-28 09:44:43 +00:00
7d84a0911e
removed unused variables
2011-04-13 14:16:22 +00:00
Martin Diehl