Alex Selimov
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32ab5a6058
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Added basic basis functionality to code
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2020-05-19 16:16:26 -04:00 |
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Alex Selimov
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ffbe83f2f5
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Added ability to have spaces in orient string if passed with quotes
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2020-05-19 15:42:38 -04:00 |
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Alex Selimov
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66670671b5
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Notch group shape
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2020-05-18 13:50:14 -04:00 |
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Alex Selimov
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9ccc5f1caf
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Replaced sorting method which resulted in broken deletion algorithm
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2020-05-18 10:38:01 -04:00 |
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Alex Selimov
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4f79085956
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Update to documentation
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2020-04-24 12:35:41 -04:00 |
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Alex Selimov
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284fce3c17
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Add group shape id
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2020-04-22 16:21:05 -04:00 |
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Alex Selimov
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f6c0cf93f2
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Final changes fixing remesh group
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2020-04-15 11:55:26 -04:00 |
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Alex Selimov
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babf4e176d
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Current working changes
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2020-04-09 17:51:47 -04:00 |
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Alex Selimov
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9a484c86f6
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Add wedge group shape option to opt_group.f90, update the documentation, and add the relevant functions to functions.f90
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2020-04-07 11:42:37 -04:00 |
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Alex Selimov
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975e2b3fc1
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Fix to numbering on interpolated atoms
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2020-04-03 17:24:49 -04:00 |
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Alex Selimov
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fa24b59028
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Merge branch 'ft--read_pycac' into 'development'
Ft read pycac
See merge request aselimov/cacmb!1
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2020-04-01 20:17:44 +00:00 |
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Alex Selimov
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a9b266d757
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Added sbox_ori option for when reading in restart files
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2020-03-20 13:14:26 -04:00 |
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Alex Selimov
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4868a30e57
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Added read_pycac subroutine
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2020-03-20 10:48:36 -04:00 |
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Alex Selimov
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697dd7fa83
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Change minimium element size in max remesh
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2020-03-20 10:47:17 -04:00 |
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Alex Selimov
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de1d230b87
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Remove sub_box_arrary_bd as it isn't needed
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2020-03-20 10:44:31 -04:00 |
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aselimov
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5b767038c2
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Merge pull request #32 from aselimov/ft--add-square-vacancy-disloop
Added rectangular vacancy disloop
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2020-03-18 10:18:23 -04:00 |
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Alex Selimov
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c11a1bb463
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Added rectangular vacancy disloop
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2020-03-17 11:21:02 -04:00 |
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Alex Selimov
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3d097fde1a
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Update to git ignore to clean directory
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2020-03-13 16:07:10 -04:00 |
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aselimov
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6d8a4be625
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Merge pull request #31 from aselimov/ft--vdisl-loop
vacancydisloop option added
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2020-03-13 16:00:13 -04:00 |
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Alex Selimov
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fc20350748
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vacancydisloop option added
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2020-03-13 15:55:45 -04:00 |
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aselimov
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c800d3261a
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Merge pull request #30 from aselimov/ft--update-boundary-command
Ft update boundary command
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2020-03-13 15:24:35 -04:00 |
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Alex Selimov
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44a9dbaead
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Add tol variable replacing lim_zero as a tolerance for real checks
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2020-03-13 15:11:22 -04:00 |
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Alex Selimov
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6642c2a1b7
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FIx to opt-orient command due to difference with how boundary command worked
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2020-03-13 15:08:43 -04:00 |
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Alex Selimov
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0ad06a2d6b
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Working changes to boundary command
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2020-03-05 16:19:30 -05:00 |
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aselimov
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80c931d77a
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Merge pull request #29 from aselimov/master
Accidental push to master
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2020-03-04 21:08:40 -05:00 |
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aselimov
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5a1676cd66
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Merge pull request #28 from aselimov/ft--rand-element-pos
Ft rand element pos
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2020-03-04 21:07:11 -05:00 |
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Alex Selimov
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d2f3c9e3ec
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Add check for orientation to make sure it's right handed and orthogonal
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2020-03-04 21:06:12 -05:00 |
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Alex Selimov
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9038242b98
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Changes to how the io works for writing restart and merging
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2020-03-04 21:05:49 -05:00 |
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Alex Selimov
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1a30968dca
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Added the rand element code
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2020-03-04 21:04:39 -05:00 |
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Alex Selimov
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27faeee5ea
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Working code which picks random position slightly outside element bounds
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2020-03-02 12:24:22 -05:00 |
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aselimov
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b847cca4ab
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Merge pull request #26 from aselimov/ft--group-remesh-to-elements
Ft group remesh to elements
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2020-02-28 10:29:21 -05:00 |
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Alex
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d670bb5083
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Working remesh command and remesh max command
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2020-02-28 09:36:33 -05:00 |
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Alex
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5b925122df
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Added verbosity to remesh command
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2020-02-25 10:47:07 -05:00 |
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Alex
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09c2e63155
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Working element refinement
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2020-02-25 10:34:09 -05:00 |
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Alex
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56994393a0
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Fix to bug causing incorrrect positions. Remeshing algorithm works
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2020-02-25 10:11:12 -05:00 |
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Alex Selimov
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c698c31ede
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First version that doesn't crash, incorrectly places elements and atoms
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2020-02-24 14:23:32 -05:00 |
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Alex
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20755270a4
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Debugging version of code
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2020-02-24 12:58:13 -05:00 |
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Alex
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d0b6c595f0
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Fix to outputting single element
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2020-02-21 17:19:10 -05:00 |
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Alex
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6a0d441bd0
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Fix to disloop code
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2020-02-21 17:18:39 -05:00 |
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Alex Selimov
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1b82d98a4f
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Added right hand rule check to orientation in mode_create
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2020-02-20 17:15:30 -05:00 |
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Alex Selimov
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9702ec85e9
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Added set max esize when reading in specific files
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2020-02-14 12:19:51 -05:00 |
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Alex Selimov
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98d00ea431
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Fix problems with mode_create.f90
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2020-02-10 15:44:01 -05:00 |
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aselimov
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b3f91f61da
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Merge pull request #25 from aselimov/bg--fix-to-box-mode-create
change box definition
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2020-02-10 11:39:36 -05:00 |
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Alex Selimov
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b97986bf04
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change box definition
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2020-02-10 11:38:47 -05:00 |
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aselimov
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170e8b76fd
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Merge pull request #24 from aselimov/ft--rand-ranges
Added possibility to select random number within range
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2020-02-07 14:38:46 -05:00 |
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Alex Selimov
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3aed6966da
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Added possibility to select random number within range
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2020-02-07 14:38:12 -05:00 |
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aselimov
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a677e0026e
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Merge pull request #23 from aselimov/ft--opt-delete
Ft opt delete
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2020-02-06 11:19:28 -05:00 |
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Alex Selimov
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a1a506e17d
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Added delete option with delete overlap command
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2020-02-06 11:18:42 -05:00 |
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Alex Selimov
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92671ea0b2
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Fix to mode merge box definition
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2020-02-05 12:04:03 -05:00 |
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Alex Selimov
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e9521f43f3
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Fix to formatting and cell neighbor loop algorithm
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2020-02-05 11:33:59 -05:00 |
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