Alex Selimov
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30dbd3bfc7
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Latest working version of cacmb
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2021-07-14 13:11:50 -04:00 |
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Alex Selimov
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8fd45dc461
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Add all new option
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2021-06-26 15:46:56 -04:00 |
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Alex Selimov
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0e41c7acc9
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Lots of updates to cacmb
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2021-06-14 10:23:26 -04:00 |
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Alex Selimov
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e3dba9029a
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Fix bug for writing to .xyz file after delete
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2021-04-22 12:49:28 -04:00 |
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Alex Selimov
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85135e7c95
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More compatability fixes for new version of CAC
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2021-03-06 01:49:29 -05:00 |
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Alex Selimov
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2e7571cfa5
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Update to change style of restart and pycac.out files
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2021-02-16 09:37:25 -05:00 |
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Alex Selimov
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fc8186f3a1
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Update to match new cac inputs/output formats
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2021-02-15 14:33:17 -05:00 |
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Alex Selimov
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2c42520102
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Restructure group code, add group shell, and add refinefill option
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2020-12-02 16:28:10 -05:00 |
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Alex Selimov
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153b95194f
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Mode calc with tot_virial calculation
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2020-11-01 21:08:42 -05:00 |
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Alex Selimov
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4dcaddb2cb
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Manual merge of control box code
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2020-10-30 19:38:27 -04:00 |
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Alex Selimov
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0929400d19
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Merge branch 'ft--option-slip-plane' into development
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2020-10-28 17:53:28 -04:00 |
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Alex Selimov
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068b5d99a9
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Fix to gfortran compatibility
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2020-10-28 17:51:23 -04:00 |
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Alex Selimov
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b9ce916e42
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Current working changes to option-slip-plane
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2020-10-27 13:23:00 -04:00 |
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Alex Selimov
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fa38875296
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merge changes
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2020-10-27 10:09:13 -04:00 |
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Alex Selimov
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51079148cc
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Get code working with gfortran
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2020-10-24 09:53:58 -04:00 |
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Alex Selimov
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f63335708b
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Working changes
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2020-10-24 09:13:16 -04:00 |
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Alex Selimov
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22e250093b
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Working changes. Working on the efill code
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2020-10-23 17:17:40 -04:00 |
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Alex Selimov
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b5629b1563
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Working changes to slip_plane code
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2020-10-23 14:13:35 -04:00 |
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Alex Selimov
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2ea388b82a
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Current working changes with some updates to comments for accuracy
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2020-10-23 11:37:28 -04:00 |
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Alex Selimov
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6e08517697
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Working continuum metric calculation code
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2020-10-20 01:03:31 -04:00 |
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Alex Selimov
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95e2ad0b4d
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Current working changes to control-box code
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2020-10-19 15:14:12 -04:00 |
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Alex Selimov
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5949f04103
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Working read from pycac.out file format
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2020-10-16 19:48:06 -04:00 |
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Alex Selimov
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724e573287
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Added deform box option and allowed for reading time information from restart files
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2020-08-10 15:52:19 -04:00 |
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Alex Selimov
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8d939ed942
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Merge bcc to development branch
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2020-07-06 16:17:55 -04:00 |
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Alex Selimov
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2fda952d3f
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Merge read-cac branch into main branch
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2020-06-30 10:58:07 -04:00 |
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Alex Selimov
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a47c384a3f
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Added tags to the element and atom arrays
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2020-06-29 18:51:01 -04:00 |
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Alex Selimov
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b52d7761e0
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First working version of reading in .cac format. Works for two separate orientations
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2020-06-02 16:42:12 -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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3a59b23be7
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Working bcc crystal structure when viewing in .lmp or .vtk format
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2020-04-25 14:42:57 -04:00 |
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Alex Selimov
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4038cab76f
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Latest working changes to read-CAC
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2020-04-23 12:17:04 -04:00 |
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Alex Selimov
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b3e05da6a4
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Working changes for reading .cac files
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2020-04-22 12:52:37 -04:00 |
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Alex Selimov
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acd902db4b
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working changes to bcc files
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2020-04-21 13:25:33 -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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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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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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Alex Selimov
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44efb4be4a
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Added orient and unorient options
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2020-02-03 17:30:41 -05:00 |
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Alex
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dc42b7b925
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Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop
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2020-01-29 10:25:33 -05:00 |
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Alex Selimov
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fd143783ec
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Added remesh option to group
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2020-01-28 09:36:00 -05:00 |
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Alex Selimov
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849da1d24a
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Changes to how the adjustment to nodal positions is performed for lammpscac output
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2020-01-15 09:39:30 -05:00 |
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Alex Selimov
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c89b7d3b59
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Merge branch 'ft--opt-dislloop' into development
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2020-01-13 20:24:15 -05:00 |
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Alex Selimov
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fbae3a1594
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Working version of CACmb capable of building simple models for lammpsCAC
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2020-01-13 20:12:46 -05:00 |
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Alex Selimov
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8fc91f4dd2
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Working planar vacancy cluster algorithm
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2020-01-13 09:42:57 -05:00 |
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Alex Selimov
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b3a9577cc2
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Added writing to pycac restart file format
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2019-12-15 17:55:31 -05:00 |
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Alex Selimov
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c291ec65b4
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Quick bug fix
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2019-12-13 13:44:17 -05:00 |
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Alex
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fb2abc60d1
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Updates to box variables adding new sub_box variables and propagating changes through all of the modes
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2019-12-07 13:38:52 -05:00 |
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Alex Selimov
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03f69c6df7
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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.
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2019-12-05 11:03:18 -05:00 |
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Alex Selimov
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fa1cb6ce58
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Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style
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2019-12-05 08:36:22 -05:00 |
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Alex
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ff3fc5e20a
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First working version of model builder with several output file types and mode_create working
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2019-11-27 15:10:28 -05:00 |
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Alex
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8217e8b51c
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Initial commit with file writing and create mode working for atoms
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2019-11-25 18:19:25 -05:00 |
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