Alex Selimov
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7a39612164
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Add norefine option
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2021-04-20 12:30:35 -04:00 |
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Alex Selimov
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db8428113d
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Changes to restart file format
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2021-03-25 11:40:47 -04:00 |
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Alex Selimov
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8298c21503
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Updates to metric and emrge and adding read_lmp
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2021-03-19 12:23:57 -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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fa5047b735
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Fix to error checking in writing .xyz files
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2020-12-04 12:17:09 -05:00 |
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Alex Selimov
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4f3d88b774
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Fix to reading and writing .xyz data
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2020-11-30 11:52:38 -05:00 |
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Alex Selimov
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f92e80f9db
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Added fixes to redef_box and to writing pycac restart files
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2020-11-19 13:57:57 -05:00 |
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Alex Selimov
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0620a07847
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Added some calc and metric changes
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2020-11-02 19:50:03 -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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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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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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96e2242573
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Fix to writing pycac files
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2020-08-14 10:29:53 -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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a0ecc7da90
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Fix to problem with read-CAC due to changes in add_atom and add_element methods)
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2020-06-30 11:00:02 -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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d01d0b0c57
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Quick fix to code to allow for reading in larger numbers of esizes
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2020-05-29 10:02:34 -04:00 |
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Alex Selimov
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080f19d644
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Update .xyz file format to include element and atom files
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2020-05-26 17:42:48 -04:00 |
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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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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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e6d7741060
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Working changes to io.f90
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2020-04-21 13:25:55 -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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975e2b3fc1
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Fix to numbering on interpolated atoms
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2020-04-03 17:24:49 -04:00 |
|
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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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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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 |
|
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 |
|
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 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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44efb4be4a
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Added orient and unorient options
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2020-02-03 17:30:41 -05:00 |
|
Alex Selimov
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4117f31cb6
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Small fix to writing to restart format
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2020-01-31 11:22:26 -05:00 |
|
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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a942b8e2a1
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Added -ow option which allows for automatic overwriting
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2020-01-28 10:59:49 -05:00 |
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Alex Selimov
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9ebdfff0a1
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Added print messages to let user know whats going on
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2020-01-28 10:42:30 -05:00 |
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Alex Selimov
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0d2a351cd5
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Fix to disl_gen. Problems with sub_box_bd and element dislocation displacement field
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2020-01-27 20:30:40 -05:00 |
|
Alex
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347b73054b
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Added group option and shift command
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2020-01-27 10:01:22 -05:00 |
|
Alex
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f80045058f
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quick fix to bug to write pycac format
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2020-01-21 12:01:45 -05:00 |
|
Alex Selimov
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12aa13b94b
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Fixes to element definitions
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2020-01-17 13:53:21 -05:00 |
|
Alex Selimov
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cde96402e2
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Working shift command for merge
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2020-01-15 16:44:13 -05:00 |
|
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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