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  • 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
  • b847cca4ab
         Merge pull request #26 from aselimov/ft--group-remesh-to-elements aselimov 2020-02-28 10:29:21 -05:00
  • d670bb5083 Working remesh command and remesh max command Alex 2020-02-28 09:36:33 -05:00
  • 5b925122df Added verbosity to remesh command Alex 2020-02-25 10:47:07 -05:00
  • 09c2e63155 Working element refinement Alex 2020-02-25 10:34:09 -05:00
  • 56994393a0 Fix to bug causing incorrrect positions. Remeshing algorithm works Alex 2020-02-25 10:11:12 -05:00
  • c698c31ede First version that doesn't crash, incorrectly places elements and atoms Alex Selimov 2020-02-24 14:23:32 -05:00
  • 20755270a4 Debugging version of code Alex 2020-02-24 12:58:13 -05:00
  • d0b6c595f0 Fix to outputting single element Alex 2020-02-21 17:19:10 -05:00
  • 6a0d441bd0 Fix to disloop code Alex 2020-02-21 17:18:39 -05:00
  • 1b82d98a4f Added right hand rule check to orientation in mode_create Alex Selimov 2020-02-20 17:15:30 -05:00
  • 9702ec85e9 Added set max esize when reading in specific files Alex Selimov 2020-02-14 12:19:51 -05:00
  • 98d00ea431 Fix problems with mode_create.f90 Alex Selimov 2020-02-10 15:44:01 -05:00
  • b3f91f61da
         Merge pull request #25 from aselimov/bg--fix-to-box-mode-create aselimov 2020-02-10 11:39:36 -05:00
  • b97986bf04 change box definition Alex Selimov 2020-02-10 11:38:47 -05:00
  • 170e8b76fd
         Merge pull request #24 from aselimov/ft--rand-ranges aselimov 2020-02-07 14:38:46 -05:00
  • 3aed6966da Added possibility to select random number within range Alex Selimov 2020-02-07 14:38:12 -05:00
  • a677e0026e
         Merge pull request #23 from aselimov/ft--opt-delete aselimov 2020-02-06 11:19:28 -05:00
  • a1a506e17d Added delete option with delete overlap command Alex Selimov 2020-02-06 11:18:42 -05:00
  • 92671ea0b2 Fix to mode merge box definition Alex Selimov 2020-02-05 12:04:03 -05:00
  • e9521f43f3 Fix to formatting and cell neighbor loop algorithm Alex Selimov 2020-02-05 11:33:59 -05:00
  • 6f15daf1ec Initial working commit with bug in delete command Alex Selimov 2020-02-05 10:57:39 -05:00
  • 08aa5d46df
         Merge pull request #22 from aselimov/ft--option-orient aselimov 2020-02-04 09:02:08 -05:00
  • 4b7d12cc0f
         Merge pull request #21 from aselimov/ft--group-delete aselimov 2020-02-04 09:01:04 -05:00
  • 9be65c4510 Added delete option and update readme Alex Selimov 2020-02-04 08:57:24 -05:00
  • f37f19cbcf Forgot to add the option file Alex Selimov 2020-02-03 17:35:22 -05:00
  • 44efb4be4a Added orient and unorient options Alex Selimov 2020-02-03 17:30:41 -05:00
  • 58ad74ca9a Quick add of boundary option and update to readme Alex Selimov 2020-01-31 11:50:41 -05:00
  • 4117f31cb6 Small fix to writing to restart format Alex Selimov 2020-01-31 11:22:26 -05:00
  • 1a23d21dba
         Merge pull request #20 from aselimov/reorganize-wrap-option aselimov 2020-01-29 10:26:29 -05:00
  • dc42b7b925 Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop Alex 2020-01-29 10:25:33 -05:00
  • 636ae9421b
         Merge pull request #19 from aselimov/ft--random-position-selector aselimov 2020-01-29 09:36:29 -05:00
  • 64926a4e16 Update to documentation for position specifiers Alex 2020-01-29 09:30:51 -05:00
  • 72dc7b089f Merge branch 'development' into ft--random-position-selector Alex Selimov 2020-01-28 11:40:22 -05:00
  • 282dcd3c58 Add random position Alex Selimov 2020-01-28 11:35:14 -05:00
  • 21be35041c
         Merge pull request #18 from aselimov/development aselimov 2020-01-28 11:02:36 -05:00
  • 1d19a51d15
         Merge pull request #17 from aselimov/adding-verbosity aselimov 2020-01-28 11:00:55 -05:00
  • a942b8e2a1 Added -ow option which allows for automatic overwriting Alex Selimov 2020-01-28 10:59:49 -05:00
  • 9ebdfff0a1 Added print messages to let user know whats going on Alex Selimov 2020-01-28 10:42:30 -05:00
  • e91bcd5d1e
         Merge pull request #16 from aselimov/ft--group-refine aselimov 2020-01-28 09:36:50 -05:00
  • fd143783ec Added remesh option to group Alex Selimov 2020-01-28 09:36:00 -05:00
  • 1db2b24499 Fixes to parse_pos subroutine Alex Selimov 2020-01-27 21:10:31 -05:00
  • 69ab46b6e3 Fix to inf*val format for positions Alex Selimov 2020-01-27 21:06:22 -05:00
  • 4e592fb4aa
         Merge pull request #15 from aselimov/bg--fix-to-dislgen aselimov 2020-01-27 20:38:04 -05:00
  • 99a680542d Extended inf commands to be position independent of the inf command Alex Selimov 2020-01-27 20:32:18 -05:00
  • 0d2a351cd5 Fix to disl_gen. Problems with sub_box_bd and element dislocation displacement field Alex Selimov 2020-01-27 20:30:40 -05:00
  • 38872d8d9f Update to readme with correct format for dislocation command Alex Selimov 2020-01-27 20:28:47 -05:00
  • 1b099a17d5 Fix to makefile build order Kevin Chu 2020-01-27 12:00:47 -05:00
  • 94e1c9fd7b Missing allocation in disloop code Alex Selimov 2020-01-27 11:56:31 -05:00
  • 071e8169b9
         Merge pull request #13 from aselimov/ft--opt-dislloop aselimov 2020-01-27 10:18:15 -05:00
  • e76187bd3c Square loop option Alex 2020-01-27 10:16:07 -05:00
  • e2ae586ea5
         Merge pull request #12 from aselimov/ft--opt-group aselimov 2020-01-27 10:07:37 -05:00