Alex Selimov
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8e924e1658
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Latest updates
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1 year ago |
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Alex Selimov
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f9e7f68676
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Add ability for even numbered elements
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2 years ago |
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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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2 years ago |
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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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2 years ago |
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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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3 years ago |
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Alex Selimov
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f0fd76f12d
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Latest working version of cacmb
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3 years ago |
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Alex Selimov
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30dbd3bfc7
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Latest working version of cacmb
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3 years ago |
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Alex Selimov
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8fd45dc461
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Add all new option
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3 years ago |
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Alex Selimov
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0e41c7acc9
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Lots of updates to cacmb
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3 years ago |
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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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3 years ago |
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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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3 years ago |
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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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3 years ago |
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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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3 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
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Alex Selimov
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068b5d99a9
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Fix to gfortran compatibility
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4 years ago |
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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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4 years ago |
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Alex Selimov
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fa38875296
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merge changes
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4 years ago |
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Alex Selimov
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51079148cc
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Get code working with gfortran
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4 years ago |
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Alex Selimov
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f63335708b
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Working changes
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4 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
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Alex Selimov
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6e08517697
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Working continuum metric calculation code
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4 years ago |
Alex Selimov
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95e2ad0b4d
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Current working changes to control-box code
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4 years ago |
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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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4 years ago |
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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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4 years ago |
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Alex Selimov
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8d939ed942
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Merge bcc to development branch
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4 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
Alex Selimov
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4038cab76f
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Latest working changes to read-CAC
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4 years ago |
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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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4 years ago |
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Alex Selimov
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acd902db4b
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working changes to bcc files
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4 years ago |
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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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4 years ago |
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Alex Selimov
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0ad06a2d6b
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Working changes to boundary command
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4 years ago |
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Alex Selimov
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1a30968dca
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Added the rand element code
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4 years ago |
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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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4 years ago |
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Alex Selimov
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44efb4be4a
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Added orient and unorient options
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4 years ago |
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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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4 years ago |
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Alex Selimov
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fd143783ec
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Added remesh option to group
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4 years ago |
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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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4 years ago |
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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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4 years ago |
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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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4 years ago |
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Alex Selimov
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8fc91f4dd2
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Working planar vacancy cluster algorithm
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4 years ago |
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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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4 years ago |
