Commit Graph

4536 Commits

Author SHA1 Message Date
Martin Diehl 851d2e1b2c prevent to load columns more than once\n @Philip: OK? 2015-10-08 17:47:00 +00:00
Martin Diehl fd04e0763b legacy code geom... can be achieved by combining voronoi tesselation and geom_rescale, for ipfs can be plotted from ascii table with matlab 2015-10-08 17:41:35 +00:00
Luv Sharma 9ec7c08bb6 gfortran was complaining abound mismatch 2015-10-07 13:07:21 +00:00
Philip Eisenlohr 3b0dc374bb now using ‘emph’ in reporting function instead of code doubling. 2015-10-07 01:07:56 +00:00
Philip Eisenlohr 801d57af4c fixed buggy behavior caused by assigning string instead of single-item list to readBuffer. 2015-10-07 01:03:26 +00:00
Martin Diehl f3f53bcbce activated tests 2015-10-06 19:36:00 +00:00
Martin Diehl 50f845fad0 adjusted to new cli options 2015-10-06 19:32:07 +00:00
Martin Diehl 127c03c525 unneeded module 2015-10-06 19:29:32 +00:00
Martin Diehl 1bd8167445 requires core module and is most likely not used.
When needed, a Complete, lean redesign is simpler than updating to current coding style
2015-10-06 18:11:58 +00:00
Martin Diehl f014cef043 improved performance for non-weighted Voronoi Tessellation 2015-10-06 18:03:06 +00:00
Martin Diehl 6e05082133 might be needed in multicore env 2015-10-06 18:01:31 +00:00
Martin Diehl c1a53bc8c0 introduced dummy target to check compilation 2015-10-06 18:00:17 +00:00
Martin Diehl 95a8b54996 buggy behavior when read buffer contained string (len > 0, but no pop() method)
@Philip: please check if intended behavior
2015-10-06 16:19:37 +00:00
Aritra Chakraborty 22048cb546 fixed a bug 2015-10-02 01:59:59 +00:00
Philip Eisenlohr 2c6a6f6530 fixed bug.
introduced possibility for poke bounding box in all dimensions.
2015-10-02 00:21:23 +00:00
Test User 23987426e2 Added report of SUCCESSFUL test for Revision 4520 2015-10-01 01:37:55 +00:00
Philip Eisenlohr e089e60202 transparently deal with one-dimensional array output 2015-09-30 18:44:54 +00:00
Test User ed7c231712 Added report of SUCCESSFUL test for Revision 4517 2015-09-30 01:37:28 +00:00
Philip Eisenlohr a2a7664e8e default to 0–1 for z range 2015-09-29 22:35:57 +00:00
Philip Eisenlohr 21bcafe3e4 seeds coordinates now rescaled to proper box size. 2015-09-29 22:27:46 +00:00
Philip Eisenlohr 863fe5ddf0 needs modules “math” and “random” for user-supplied conditions…
(do not remove through pyflakes—shall we introduce dummy code to keep the modules “active”?)
2015-09-29 22:27:07 +00:00
Philip Eisenlohr b2243ae3c1 small polishing 2015-09-29 22:25:57 +00:00
Test User 8d7fab56f7 Added report of SUCCESSFUL test for Revision 4513 2015-09-29 01:36:33 +00:00
Harsha Phukan 202ee00049 Eliminated redundant searches for similar orientations in neighboring points…speeds up script by 2 orders of magnitude 2015-09-28 19:03:24 +00:00
Martin Diehl 0f0b4eaa6b cleaned 2015-09-28 17:47:00 +00:00
Test User b15eb5d787 Added report of SUCCESSFUL test for Revision 4510 2015-09-25 01:31:14 +00:00
Martin Diehl ad16162eb8 simplified 2015-09-24 17:50:11 +00:00
Martin Diehl c50a522dd8 some shapes not 100% correct, removed inverse laplace 2015-09-24 17:38:49 +00:00
Martin Diehl ac2bcd7f60 ignores missing 2015-09-24 17:32:24 +00:00
Martin Diehl be769d6dcc better version handling 2015-09-24 17:27:13 +00:00
Martin Diehl 55dc2b419a warn if unexpected file size is encoutered 2015-09-24 17:07:27 +00:00
Martin Diehl 4ead24a134 more tests 2015-09-24 16:52:58 +00:00
Martin Diehl f4c53e0be8 removed warnings by pyflakes, implemented new croak functionality 2015-09-24 15:34:27 +00:00
Martin Diehl e1157126bc cleaned with pyflakes, added test for seed generation 2015-09-24 13:21:44 +00:00
Martin Diehl 948aa0c544 was missing in last commit 2015-09-24 10:01:15 +00:00
Test User fdee3e4fce Added report of SUCCESSFUL test for Revision 4498 2015-09-24 09:59:36 +00:00
Martin Diehl f4d4a8e1ec adopted philips changes for reporting, using pyflakes to clean up 2015-09-24 09:24:42 +00:00
Martin Diehl 2e70e6fded make clear that this isNaN is an intrinsic extension 2015-09-24 08:45:44 +00:00
Tias Maiti 3c901e5549 added option for Euler angle output in degrees 2015-09-23 23:05:28 +00:00
Martin Diehl 5761025a74 updated test since elem number is now also averaged down 2015-09-23 22:16:30 +00:00
Chen Zhang 3fa0312087 update usage of asciitable to new interface 2015-09-23 19:20:18 +00:00
Philip Eisenlohr 2aa1073949 relocated “croak” and “report” functionality to here. needs to be altered in all scripts that still use the ASCIItable class for those… 2015-09-22 21:00:18 +00:00
Aritra Chakraborty b528088653 added all 13 slip families for bct(beta)-Sn
increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
2015-09-22 18:42:23 +00:00
Martin Diehl 3a1758b978 for introducing a more general structure 2015-09-22 17:42:00 +00:00
Martin Diehl 808bf69459 deleted folder 2015-09-22 17:40:19 +00:00
Martin Diehl d98c1823ce renamed and started to introduce more general structure 2015-09-21 18:20:21 +00:00
Martin Diehl 1310e0b5e2 new geom file including material.config as header 2015-09-21 18:08:01 +00:00
Martin Diehl 42ac7902f7 indents wrong in fortran, seeds_fromDistribution bugfix and using ASCII table facilities 2015-09-20 21:03:10 +00:00
Chen Zhang 78809c8114 update logarithmic option in the example script 2015-09-18 19:03:53 +00:00
Martin Diehl 666b438e6a using ASCII table 2015-09-18 16:12:27 +00:00