Philip Eisenlohr
282e4a0360
scripts now figure out dimension and resolution on their own...
2012-02-08 11:18:15 +00:00
Philip Eisenlohr
9c35e4e148
small polishing of help output.
2012-02-08 09:12:08 +00:00
Christoph Kords
51e8981ba3
not specifying the location of python executable directly, but rather getting it from $path, otherwise the scripts won't work on every machine
2012-02-07 13:09:10 +00:00
Christoph Kords
2f07faa0e2
norm capable of using different p-norms (abs norm, frobenius norm, and max norm). also able to handle "slipsystem" outputs (use option -s). number of slip systems can be set by option -i, if not 12 is default.
2012-02-07 13:02:56 +00:00
Christoph Kords
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
Christoph Kords
5ddade27fc
changed Peierls stress to more realistic values for fcc
2012-02-03 13:12:45 +00:00
Christoph Kords
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
Christoph Kords
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
Philip Eisenlohr
a3e47b2d65
added method to return data as list of floats.
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safer check whether ASCII file has ended.
2012-02-02 17:13:51 +00:00
Philip Eisenlohr
bffc22fbe1
major restructuring. packing stencil can be shifted to allow for element or nodal value averaging.
2012-02-02 17:12:48 +00:00
Krishna Komerla
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
Martin Diehl
72aeb2113a
minor improvement on the still not working long (polarization field based) algorithm
2012-02-02 13:20:09 +00:00
Martin Diehl
faed4ec232
added deallocation of arrays (fftw_free)
2012-02-02 13:19:35 +00:00
Martin Diehl
2e4f2f3d9c
added _pInt where appropriate
2012-02-02 13:19:02 +00:00
Martin Diehl
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
Martin Diehl
c6fb2122be
added some comments for further debuggin/compliance with standard checking
2012-02-01 20:28:58 +00:00
Martin Diehl
c5128e94eb
some f2008 standard related correction i didn't check in last time
2012-02-01 20:20:05 +00:00
Claudio Zambaldi
7dd67e3ebb
improved creation of material.config files, mostly done by Philip
2012-02-01 19:44:36 +00:00
Claudio Zambaldi
590b10ee3e
not much
2012-02-01 19:43:11 +00:00
Martin Diehl
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
Franz Roters
93f311f2b9
now skips environment variables in comments, i.e. after '#'
2012-01-31 15:43:39 +00:00
Martin Diehl
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
Martin Diehl
e87296b10a
added debug output for tests, corrected bug reporting number of successful tests
2012-01-31 13:10:14 +00:00
Christoph Kords
9b679c3c0b
switched to damask include instead of outdated damask_tools
2012-01-31 13:08:25 +00:00
Martin Diehl
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
Martin Diehl
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
Martin Diehl
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
Martin Diehl
7731926fec
two step renaming because otherwise svn get confused
2012-01-27 09:58:08 +00:00
Martin Diehl
2a89d9b81a
simplified compilation testing by introducing some small helper functions for common tasks, continued to rename
2012-01-27 09:55:19 +00:00
Martin Diehl
7c35e5a1cd
renamed to new numbering scheme, added first test cases for addDivergence
2012-01-26 17:29:26 +00:00
Martin Diehl
20a775e8d1
small improvements (more output to screen)
2012-01-26 15:26:21 +00:00
Martin Diehl
c6c9fd71de
marc compile test is compiling and running again, postprocess still not working
2012-01-26 15:23:41 +00:00
Christoph Kords
4edd824d8c
forgot homogenization.f90 in last commit
2012-01-26 13:51:01 +00:00
Christoph Kords
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
Christoph Kords
df931890e0
corrected typos
2012-01-26 12:50:04 +00:00
Christoph Kords
6fec57bbd7
replaced variable fraction by "timefraction"
2012-01-26 12:48:59 +00:00
Martin Diehl
27a976c04f
changed to new structure (using damask module)
2012-01-26 12:46:38 +00:00
Christoph Kords
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
Christoph Kords
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
Martin Diehl
bd2c5dcc59
changed name reference_results to reference
2012-01-25 15:18:06 +00:00
Martin Diehl
8336ac824b
added test for gfortran and gfortran vs intel, renamed intel test to new numbering scheme and changed to new div criterion
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introduced "try" statement in lib/damask/test/test.py to avoid crash if a test variant fails
2012-01-25 15:16:36 +00:00
Martin Diehl
becb863110
added test for gfortran and gfortran vs intel, renamed intel test to new numbering scheme and changed to new div criterion
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introduced "try" statement in lib/damask/test/test.py to avoid crash if a test variant fails
2012-01-25 15:14:31 +00:00
Martin Diehl
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
Martin Diehl
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
Martin Diehl
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
Martin Diehl
bd48620de2
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 10:30:39 +00:00
Martin Diehl
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
Martin Diehl
656d7a68d2
one new error message for spectral solver
2012-01-25 09:00:40 +00:00
Martin Diehl
3e521e32a6
indroduced 3 more flags for fine control of spectral algorithm
2012-01-25 08:56:46 +00:00
Martin Diehl
52a43c3b32
improved help output and corrected triggering (-h, --help) of help
2012-01-25 08:54:37 +00:00