Alex Selimov
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cffb460e09
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Add periodic boundaries to metric calculation and energy to vtk out
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2022-05-24 06:52:30 -04:00 |
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Alex Selimov
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59a0c18779
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Change implementation to make atom types a bit better
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2022-03-09 14:07:43 -05:00 |
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Alex Selimov
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de8b4e168a
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Refactor to remove sub boxes from CACmb code, functionality was not useful and became detrimental for generation of new models
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2022-01-26 20:48:16 -05:00 |
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Alex Selimov
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d9920bbef0
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Lots of accumulated fixes to various functionality with cacmb
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2022-01-13 12:16:50 -05:00 |
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Alex Selimov
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1114a46c60
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Add velocity reading to pycac_out files and fix to interp_atoms
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2021-09-20 16:30:47 -04:00 |
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Alex Selimov
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f0fd76f12d
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Latest working version of cacmb
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2021-09-14 22:33:47 -04:00 |
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Alex Selimov
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8eac9be895
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Fix stress calculation
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2021-07-23 10:53:47 -04:00 |
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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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4b9589e7b3
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Fix to dynamic allocation
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2021-06-25 10:50:54 -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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b684e0754b
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Add mode_da and fixes to io
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2021-05-25 13:33:58 -04:00 |
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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 |
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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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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 |
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