470fc2dce3
comparison for zero should be abs:
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a == 0.0_pReal becomes abs(a) <= tiny(a)
a /= 0.0_pReal becomes abs(a) > tiny(a)
remove unused variables
2015-04-11 08:25:23 +00:00
e0f1132a17
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 12:54:13 +00:00
80bb9a2e66
function to calculate mises stress.
2015-01-13 09:43:05 +00:00
674185a8de
big fixes
2014-10-14 03:30:59 +00:00
4e3f8245a7
some improvements for void nucleation
2014-10-14 01:10:42 +00:00
eeac38dd1a
polishing
2014-10-13 08:44:49 +00:00
96f036e34e
updated MPI reporting in line with recent changes
2014-10-10 16:21:10 +00:00
c8929b47d3
only output from the root processor for parallel runs
2014-10-09 20:23:06 +00:00
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
Martin Diehl