201 Commits

Author SHA1 Message Date
Alex Selimov
6119366b24 Remove debug statement 2021-04-22 01:11:45 -04:00
Alex Selimov
7a39612164 Add norefine option 2021-04-20 12:30:35 -04:00
Alex Selimov
db8428113d Changes to restart file format 2021-03-25 11:40:47 -04:00
Alex Selimov
8298c21503 Updates to metric and emrge and adding read_lmp 2021-03-19 12:23:57 -04:00
Alex Selimov
85135e7c95 More compatability fixes for new version of CAC 2021-03-06 01:49:29 -05:00
Alex Selimov
2e7571cfa5 Update to change style of restart and pycac.out files 2021-02-16 09:37:25 -05:00
Alex Selimov
fc8186f3a1 Update to match new cac inputs/output formats 2021-02-15 14:33:17 -05:00
Alex Selimov
90bdc160cb Update to Make file and working compile 2021-02-12 12:35:04 -05:00
Alex Selimov
24b1647754 Merge branch 'development' of gitlab.com:aselimov/cacmb into development 2021-01-12 11:52:35 -05:00
Alex Selimov
361c8cae53 Some fixes to opt_disl code 2021-01-12 11:52:28 -05:00
Alex Selimov
77ef2bd063 Update metric file to make it similar to the xyz file in io subroutine 2021-01-12 11:51:46 -05:00
Alex Selimov
fe3cc92bc0 Fix problem with set_types 2021-01-12 11:46:50 -05:00
Alex Selimov
6bd6ce3263 Merge branch 'revert-fd901648' into 'development'
Revert "Update license from gplv3 to MIT"

See merge request aselimov/cacmb!3
2021-01-10 01:32:36 +00:00
Alex Selimov
7a55aa03de Revert "Update license from gplv3 to MIT"
This reverts commit fd901648f23d7cb53856d84d65d392bd8fa69443
2021-01-10 01:32:16 +00:00
Alex Selimov
5370a5d26b Merge ft--disl 2020-12-04 14:14:03 -05:00
Alex Selimov
fa5047b735 Fix to error checking in writing .xyz files 2020-12-04 12:17:09 -05:00
Alex Selimov
1c7c028dd8 Merge branch 'ft--group-shell' into development 2020-12-03 09:21:43 -05:00
Alex Selimov
29df0f9eb2 Fix to opt_group which got the code working 2020-12-03 09:21:31 -05:00
Alex Selimov
2c42520102 Restructure group code, add group shell, and add refinefill option 2020-12-02 16:28:10 -05:00
Alex Selimov
4f3d88b774 Fix to reading and writing .xyz data 2020-11-30 11:52:38 -05:00
Alex Selimov
f92e80f9db Added fixes to redef_box and to writing pycac restart files 2020-11-19 13:57:57 -05:00
Alex Selimov
077574ea8d Added disl option 2020-11-18 16:03:28 -05:00
Alex Selimov
0620a07847 Added some calc and metric changes 2020-11-02 19:50:03 -05:00
Alex Selimov
153b95194f Mode calc with tot_virial calculation 2020-11-01 21:08:42 -05:00
Alex Selimov
4dcaddb2cb Manual merge of control box code 2020-10-30 19:38:27 -04:00
Alex Selimov
0929400d19 Merge branch 'ft--option-slip-plane' into development 2020-10-28 17:53:28 -04:00
Alex Selimov
a528dc4c52 Final fix to get working opt_slip_plane 2020-10-28 17:53:12 -04:00
Alex Selimov
068b5d99a9 Fix to gfortran compatibility 2020-10-28 17:51:23 -04:00
Alex Selimov
fd901648f2 Update license from gplv3 to MIT 2020-10-28 10:45:05 -04:00
Alex Selimov
84a84e578a Working version of slip_plane ooption with effill 2020-10-27 16:44:03 -04:00
Alex Selimov
b9ce916e42 Current working changes to option-slip-plane 2020-10-27 13:23:00 -04:00
Alex Selimov
fa38875296 merge changes 2020-10-27 10:09:13 -04:00
Alex Selimov
51079148cc Get code working with gfortran 2020-10-24 09:53:58 -04:00
Alex Selimov
f63335708b Working changes 2020-10-24 09:13:16 -04:00
Alex Selimov
22e250093b Working changes. Working on the efill code 2020-10-23 17:17:40 -04:00
Alex Selimov
b5629b1563 Working changes to slip_plane code 2020-10-23 14:13:35 -04:00
Alex Selimov
2ea388b82a Current working changes with some updates to comments for accuracy 2020-10-23 11:37:28 -04:00
Alex Selimov
6e08517697 Working continuum metric calculation code 2020-10-20 01:03:31 -04:00
Alex Selimov
3e140df1a9 Correcting problem with README 2020-10-19 15:15:15 -04:00
Alex Selimov
95e2ad0b4d Current working changes to control-box code 2020-10-19 15:14:12 -04:00
Alex Selimov
5949f04103 Working read from pycac.out file format 2020-10-16 19:48:06 -04:00
Alex Selimov
dadc1f7a4a Fixed the efill option to preserve interelement discontinuities 2020-10-15 20:41:15 -04:00
Alex Selimov
c42db27f57 Working redef box option 2020-10-13 11:57:20 -04:00
Alex Selimov
b658202a1e First testing version of code 2020-10-12 13:26:58 -04:00
Alex Selimov
fb236f4ab4 Fix to opt_orient to preserve boundary conditions 2020-10-12 13:26:15 -04:00
Alex Selimov
1e1c08e546 Added group shape all to seleect all of a specific type 2020-10-03 23:42:33 -04:00
Alex Selimov
9ed8dca69c Updated docs 2020-09-22 17:25:02 -04:00
Alex Selimov
73fca4a0d8 Added efill zigzag code which adjusts the efill option 2020-09-22 17:23:20 -04:00
Alex Selimov
4c75fac13c Working change group type command 2020-09-13 15:47:55 -04:00
Alex Selimov
c4afde2743 Working changes to group 2020-09-13 15:04:08 -04:00