aselimov/CACmb
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  • 8a1bbcbc4e Added call_option which has been needed for a while but was missing Alex 2020-01-27 10:06:20 -05:00
  • 347b73054b Added group option and shift command Alex 2020-01-27 10:01:22 -05:00
  • f80045058f quick fix to bug to write pycac format Alex 2020-01-21 12:01:45 -05:00
  • b0059a34a1
         Merge pull request #10 from aselimov/bg--fix-to-pycac-format aselimov 2020-01-17 13:55:54 -05:00
  • 12aa13b94b Fixes to element definitions Alex Selimov 2020-01-17 13:53:21 -05:00
  • f0665ce3ef Add installation instructions Alex 2020-01-16 12:47:09 -05:00
  • ceeb5ef1a9
         Merge pull request #9 from aselimov/ft--merge-wrap aselimov 2020-01-15 16:46:18 -05:00
  • cde96402e2 Working shift command for merge Alex Selimov 2020-01-15 16:44:13 -05:00
  • 14dd8ad755 Fixes to mode_merge Alex Selimov 2020-01-15 16:03:18 -05:00
  • 840c8aa352
         Merge pull request #8 from aselimov/development aselimov 2020-01-15 09:59:00 -05:00
  • fe6101167f
         Merge pull request #7 from aselimov/redo-lammpscac aselimov 2020-01-15 09:57:51 -05:00
  • 849da1d24a Changes to how the adjustment to nodal positions is performed for lammpscac output Alex Selimov 2020-01-15 09:39:30 -05:00
  • 55fbe679e5 Quick fix to argument positioning Alex Selimov 2020-01-15 08:12:48 -05:00
  • c89b7d3b59 Merge branch 'ft--opt-dislloop' into development Alex Selimov 2020-01-13 20:24:15 -05:00
  • 889edfd314
         Merge pull request #6 from aselimov/ft-write-lammpscac aselimov 2020-01-13 20:18:39 -05:00
  • fbae3a1594 Working version of CACmb capable of building simple models for lammpsCAC Alex Selimov 2020-01-13 20:12:46 -05:00
  • d09ebfa7e0 Merge branch 'development' into ft-write-lammpscac Alex Selimov 2020-01-13 17:21:44 -05:00
  • ba28734fd7 Working changes to write lammps cac Alex Selimov 2020-01-13 16:54:52 -05:00
  • 20546dc267 Actual dislocation loop generation algorithm alongside dislgen command Alex Selimov 2020-01-13 16:43:49 -05:00
  • ec7980ff0b Fix to main when running without a mode Alex Selimov 2020-01-13 09:50:29 -05:00
  • 1f1598dec9 Added Make install and fix to main Alex Selimov 2020-01-13 09:49:42 -05:00
  • 8fc91f4dd2 Working planar vacancy cluster algorithm Alex Selimov 2020-01-13 09:42:57 -05:00
  • d0e6253d64 Working commit for dislocation generation branch Alex 2019-12-25 16:30:18 -05:00
  • 41024b9674 Added new parse ori_vec subroutine to parse orientation vectors Alex Selimov 2019-12-15 18:59:21 -05:00
  • e007038b6f Merge branch 'development' of https://github.com/aselimov/CACmb into development Cherry-picking the call_mode commit into the main development branch to work on other options Alex Selimov 2019-12-15 18:10:43 -05:00
  • 0dff3b2ca9 Restructure the command parsing loops so the mode commands only parse the mode options Alex Selimov 2019-12-11 09:07:59 -05:00
  • 1355385ffd
         Merge pull request #5 from aselimov/ft--pycac-restart aselimov 2019-12-15 17:56:28 -05:00
  • b3a9577cc2 Added writing to pycac restart file format Alex Selimov 2019-12-15 17:55:31 -05:00
  • c291ec65b4 Quick bug fix Alex Selimov 2019-12-13 13:44:17 -05:00
  • ce2e3d17f4
         Merge pull request #4 from aselimov/bg--fixes-to-mode-merge-reading aselimov 2019-12-10 19:35:46 -05:00
  • b0941e4482 Fixes to file reading to ensure that mode_merge works correctly Alex Selimov 2019-12-10 19:33:46 -05:00
  • 520babe6f6
         Merge pull request #3 from aselimov/development aselimov 2019-12-07 13:44:49 -05:00
  • 95060bc0d9
         Merge pull request #2 from aselimov/ft--mode-merge aselimov 2019-12-07 13:43:23 -05:00
  • 3c7461f094 Added mode merge, adjusted how file reading works to accomodate model merge Alex 2019-12-07 13:39:29 -05:00
  • fb2abc60d1 Updates to box variables adding new sub_box variables and propagating changes through all of the modes Alex 2019-12-07 13:38:52 -05:00
  • d624e6ed5d Added mode_convert and documentation. Created new .mb filetype which contains all necessary information for operating on simulation cells. Created framework for reading in data files, right now only .mb style files Alex Selimov 2019-12-05 11:04:49 -05:00
  • 03f69c6df7 Removed extra variables from mode_create.f90, added a new module to contain simulation box information and changed code accordingly, new grow subroutine in elements. Alex Selimov 2019-12-05 11:03:18 -05:00
  • fa1cb6ce58 Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style Alex Selimov 2019-12-05 08:36:22 -05:00
  • 591762d259 Latest attempts to get the lammpscac data format working Alex Selimov 2019-12-04 21:03:13 -05:00
  • c1150ae4b1 First attempts at figuring out the element format for lammpscac Alex Selimov 2019-11-29 22:23:22 -05:00
  • 54aa50b605 Working writing to lammpsCAC format Alex Selimov 2019-11-29 13:36:19 -05:00
  • 033b44dc40
         Merge pull request #1 from aselimov/ft--mode-create aselimov 2019-11-27 15:39:31 -05:00
  • ff3fc5e20a First working version of model builder with several output file types and mode_create working Alex 2019-11-27 15:10:28 -05:00
  • 8217e8b51c Initial commit with file writing and create mode working for atoms Alex 2019-11-25 18:19:25 -05:00
  • 624886bbe9 Initial commit with working atom and lattice type parsing Alex Selimov 2019-09-25 20:11:10 -04:00
  • 552dd3cada
         Initial commit aselimov 2019-09-25 09:04:36 -04:00