aselimov/cacmb
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  • 5e56f2da10 Merge branch 'development' into 'master' master Alex Selimov 2021-02-26 17:47:10 +00:00
  • 2e7571cfa5 Update to change style of restart and pycac.out files Alex Selimov 2021-02-16 09:37:25 -05:00
  • fc8186f3a1 Update to match new cac inputs/output formats Alex Selimov 2021-02-15 14:33:17 -05:00
  • 90bdc160cb Update to Make file and working compile Alex Selimov 2021-02-12 12:35:04 -05:00
  • 24b1647754 Merge branch 'development' of gitlab.com:aselimov/cacmb into development Alex Selimov 2021-01-12 11:52:35 -05:00
  • 361c8cae53 Some fixes to opt_disl code Alex Selimov 2021-01-12 11:52:28 -05:00
  • 77ef2bd063 Update metric file to make it similar to the xyz file in io subroutine Alex Selimov 2021-01-12 11:51:46 -05:00
  • fe3cc92bc0 Fix problem with set_types Alex Selimov 2021-01-12 11:46:50 -05:00
  • 6bd6ce3263 Merge branch 'revert-fd901648' into 'development' Alex Selimov 2021-01-10 01:32:36 +00:00
  • 7a55aa03de Revert "Update license from gplv3 to MIT" Alex Selimov 2021-01-10 01:32:16 +00:00
  • 5370a5d26b Merge ft--disl Alex Selimov 2020-12-04 14:14:03 -05:00
  • fa5047b735 Fix to error checking in writing .xyz files Alex Selimov 2020-12-04 12:17:09 -05:00
  • 1c7c028dd8 Merge branch 'ft--group-shell' into development Alex Selimov 2020-12-03 09:21:43 -05:00
  • 29df0f9eb2 Fix to opt_group which got the code working Alex Selimov 2020-12-03 09:21:31 -05:00
  • 2c42520102 Restructure group code, add group shell, and add refinefill option Alex Selimov 2020-12-02 16:28:10 -05:00
  • 4f3d88b774 Fix to reading and writing .xyz data Alex Selimov 2020-11-30 11:52:38 -05:00
  • f92e80f9db Added fixes to redef_box and to writing pycac restart files Alex Selimov 2020-11-19 13:57:57 -05:00
  • 077574ea8d Added disl option Alex Selimov 2020-11-18 16:03:28 -05:00
  • 0620a07847 Added some calc and metric changes Alex Selimov 2020-11-02 19:50:03 -05:00
  • 153b95194f Mode calc with tot_virial calculation Alex Selimov 2020-11-01 21:08:42 -05:00
  • 4dcaddb2cb Manual merge of control box code Alex Selimov 2020-10-30 19:38:27 -04:00
  • 0929400d19 Merge branch 'ft--option-slip-plane' into development Alex Selimov 2020-10-28 17:53:28 -04:00
  • a528dc4c52 Final fix to get working opt_slip_plane Alex Selimov 2020-10-28 17:53:12 -04:00
  • 068b5d99a9 Fix to gfortran compatibility Alex Selimov 2020-10-28 17:51:23 -04:00
  • fd901648f2 Update license from gplv3 to MIT Alex Selimov 2020-10-28 10:45:05 -04:00
  • 84a84e578a Working version of slip_plane ooption with effill Alex Selimov 2020-10-27 16:44:03 -04:00
  • b9ce916e42 Current working changes to option-slip-plane Alex Selimov 2020-10-27 13:23:00 -04:00
  • fa38875296 merge changes Alex Selimov 2020-10-27 10:09:13 -04:00
  • 51079148cc Get code working with gfortran Alex Selimov 2020-10-24 09:53:58 -04:00
  • f63335708b Working changes Alex Selimov 2020-10-24 09:13:16 -04:00
  • 22e250093b Working changes. Working on the efill code Alex Selimov 2020-10-23 17:17:40 -04:00
  • b5629b1563 Working changes to slip_plane code Alex Selimov 2020-10-23 14:13:35 -04:00
  • 2ea388b82a Current working changes with some updates to comments for accuracy Alex Selimov 2020-10-23 11:37:28 -04:00
  • 6e08517697 Working continuum metric calculation code Alex Selimov 2020-10-20 01:03:31 -04:00
  • 3e140df1a9 Correcting problem with README Alex Selimov 2020-10-19 15:15:15 -04:00
  • 95e2ad0b4d Current working changes to control-box code Alex Selimov 2020-10-19 15:14:12 -04:00
  • 5949f04103 Working read from pycac.out file format Alex Selimov 2020-10-16 19:48:06 -04:00
  • dadc1f7a4a Fixed the efill option to preserve interelement discontinuities Alex Selimov 2020-10-15 20:41:15 -04:00
  • c42db27f57 Working redef box option Alex Selimov 2020-10-13 11:57:20 -04:00
  • b658202a1e First testing version of code Alex Selimov 2020-10-12 13:26:58 -04:00
  • fb236f4ab4 Fix to opt_orient to preserve boundary conditions Alex Selimov 2020-10-12 13:26:15 -04:00
  • 1e1c08e546 Added group shape all to seleect all of a specific type Alex Selimov 2020-10-03 23:42:33 -04:00
  • 9ed8dca69c Updated docs Alex Selimov 2020-09-22 17:25:02 -04:00
  • 73fca4a0d8 Added efill zigzag code which adjusts the efill option Alex Selimov 2020-09-22 17:23:20 -04:00
  • 4c75fac13c Working change group type command Alex Selimov 2020-09-13 15:47:55 -04:00
  • c4afde2743 Working changes to group Alex Selimov 2020-09-13 15:04:08 -04:00
  • 96e2242573 Fix to writing pycac files Alex Selimov 2020-08-14 10:29:53 -04:00
  • 724e573287 Added deform box option and allowed for reading time information from restart files Alex Selimov 2020-08-10 15:52:19 -04:00
  • 8d939ed942 Merge bcc to development branch Alex Selimov 2020-07-06 16:17:55 -04:00
  • a0ecc7da90 Fix to problem with read-CAC due to changes in add_atom and add_element methods) Alex Selimov 2020-06-30 11:00:02 -04:00
  • 2fda952d3f Merge read-cac branch into main branch Alex Selimov 2020-06-30 10:58:07 -04:00
  • a47c384a3f Added tags to the element and atom arrays Alex Selimov 2020-06-29 18:51:01 -04:00
  • de15d0f8ae Update to doc for remesh command Alex Selimov 2020-06-08 22:11:37 -04:00
  • 338587b7b7 Added sphere as a possible group shape Alex Selimov 2020-06-04 12:13:42 -04:00
  • b52d7761e0 First working version of reading in .cac format. Works for two separate orientations Alex Selimov 2020-06-02 16:42:12 -04:00
  • d01d0b0c57 Quick fix to code to allow for reading in larger numbers of esizes Alex Selimov 2020-05-29 10:02:34 -04:00
  • 65c2b380cd Added flip option to group to invert group selection Alex Selimov 2020-05-27 14:53:44 -04:00
  • 43025d0b67 Quick fix to efill code Alex Selimov 2020-05-27 14:37:30 -04:00
  • aef9da49be Added greater range of element sizes Alex Selimov 2020-05-26 17:43:12 -04:00
  • 080f19d644 Update .xyz file format to include element and atom files Alex Selimov 2020-05-26 17:42:48 -04:00
  • e5eec7a7cd Added random option which can be used to create vacancy fields Alex Selimov 2020-05-26 11:51:46 -04:00
  • 5dda0e3b81 Added efill option Alex Selimov 2020-05-20 15:09:12 -04:00
  • 8693d7aaa9 Initial testing of efill code Alex Selimov 2020-05-20 11:59:49 -04:00
  • 8cb9787ea2 Added functionality so you can refine elements prior to operating on the group Alex Selimov 2020-05-20 11:07:21 -04:00
  • b28875b3e1 Added keyword for group selection based on nodal position instead of centroid Alex Selimov 2020-05-20 09:51:02 -04:00
  • 32ab5a6058 Added basic basis functionality to code Alex Selimov 2020-05-19 16:16:26 -04:00
  • ffbe83f2f5 Added ability to have spaces in orient string if passed with quotes Alex Selimov 2020-05-19 15:42:38 -04:00
  • 66670671b5 Notch group shape Alex Selimov 2020-05-18 13:50:14 -04:00
  • 9ccc5f1caf Replaced sorting method which resulted in broken deletion algorithm Alex Selimov 2020-05-18 10:38:01 -04:00
  • 3a59b23be7 Working bcc crystal structure when viewing in .lmp or .vtk format Alex Selimov 2020-04-25 14:42:57 -04:00
  • 4f79085956 Update to documentation Alex Selimov 2020-04-24 12:35:41 -04:00
  • 4038cab76f Latest working changes to read-CAC Alex Selimov 2020-04-23 12:17:04 -04:00
  • 284fce3c17 Add group shape id Alex Selimov 2020-04-22 16:21:05 -04:00
  • b3e05da6a4 Working changes for reading .cac files Alex Selimov 2020-04-22 12:52:37 -04:00
  • e6d7741060 Working changes to io.f90 Alex Selimov 2020-04-21 13:25:55 -04:00
  • acd902db4b working changes to bcc files Alex Selimov 2020-04-21 13:25:33 -04:00
  • f6c0cf93f2 Final changes fixing remesh group Alex Selimov 2020-04-15 11:55:26 -04:00
  • babf4e176d Current working changes Alex Selimov 2020-04-09 17:51:47 -04:00
  • 9a484c86f6 Add wedge group shape option to opt_group.f90, update the documentation, and add the relevant functions to functions.f90 Alex Selimov 2020-04-07 11:42:37 -04:00
  • 975e2b3fc1 Fix to numbering on interpolated atoms Alex Selimov 2020-04-03 17:24:49 -04:00
  • fa24b59028 Merge branch 'ft--read_pycac' into 'development' Alex Selimov 2020-04-01 20:17:44 +00:00
  • a9b266d757 Added sbox_ori option for when reading in restart files Alex Selimov 2020-03-20 13:14:26 -04:00
  • 4868a30e57 Added read_pycac subroutine Alex Selimov 2020-03-20 10:48:36 -04:00
  • 697dd7fa83 Change minimium element size in max remesh Alex Selimov 2020-03-20 10:47:17 -04:00
  • de1d230b87 Remove sub_box_arrary_bd as it isn't needed Alex Selimov 2020-03-20 10:44:31 -04:00
  • 5b767038c2
         Merge pull request #32 from aselimov/ft--add-square-vacancy-disloop aselimov 2020-03-18 10:18:23 -04:00
  • c11a1bb463 Added rectangular vacancy disloop Alex Selimov 2020-03-17 11:21:02 -04:00
  • 3d097fde1a Update to git ignore to clean directory Alex Selimov 2020-03-13 16:07:10 -04:00
  • 6d8a4be625
         Merge pull request #31 from aselimov/ft--vdisl-loop aselimov 2020-03-13 16:00:13 -04:00
  • fc20350748 vacancydisloop option added Alex Selimov 2020-03-13 15:55:45 -04:00
  • c800d3261a
         Merge pull request #30 from aselimov/ft--update-boundary-command aselimov 2020-03-13 15:24:35 -04:00
  • 44a9dbaead Add tol variable replacing lim_zero as a tolerance for real checks Alex Selimov 2020-03-13 15:11:22 -04:00
  • 6642c2a1b7 FIx to opt-orient command due to difference with how boundary command worked Alex Selimov 2020-03-13 15:08:43 -04:00
  • 0ad06a2d6b Working changes to boundary command Alex Selimov 2020-03-05 16:19:30 -05:00
  • 80c931d77a
         Merge pull request #29 from aselimov/master aselimov 2020-03-04 21:08:40 -05:00
  • 5a1676cd66
         Merge pull request #28 from aselimov/ft--rand-element-pos aselimov 2020-03-04 21:07:11 -05:00
  • d2f3c9e3ec Add check for orientation to make sure it's right handed and orthogonal Alex Selimov 2020-03-04 21:06:12 -05:00
  • 9038242b98 Changes to how the io works for writing restart and merging Alex Selimov 2020-03-04 21:05:49 -05:00
  • 1a30968dca Added the rand element code Alex Selimov 2020-03-04 21:04:39 -05:00
  • 27faeee5ea Working code which picks random position slightly outside element bounds Alex Selimov 2020-03-02 12:24:22 -05:00