Alex Selimov
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8e924e1658
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Latest updates
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1 year ago |
Kevin C
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d6f11590f3
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fixed pycac format output to use correct atom tags, fixed mode_da syntax
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2 years ago |
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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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2 years ago |
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Alex Selimov
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8fd2a7f65b
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Updated dislocation analysis and fix to alloy opt_group option
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2 years ago |
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Alex Selimov
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612cea3891
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Fix group implementation to abide by new atom type formulation
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2 years ago |
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Alex Selimov
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a9833f53bf
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Change bubble code from pressure to ratio
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2 years ago |
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Alex Selimov
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044bfe7e7f
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Fix bug in neighbors
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2 years ago |
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Alex Selimov
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d5d20e468c
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Improve dislocation analysis in coarse-grained regions and add character analysis
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2 years ago |
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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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2 years 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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a712db3274
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Quick fix to README
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2 years ago |
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Alex Selimov
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f857c96931
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Quick fix to README
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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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971e0a5e8d
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Update to README
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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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fbaca5859b
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Fix to box bound
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3 years ago |
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Alex Selimov
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8eac9be895
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Fix stress calculation
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3 years ago |
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Alex Selimov
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586c1f002c
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Another fix to overlap command
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3 years ago |
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Alex Selimov
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3ad5e0f5e6
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Merge branch 'development' of gitlab.com:aselimov/cacmb into development
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3 years ago |
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Alex Selimov
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b530b15397
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Fix opt_delete overlap
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3 years ago |
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Alex Selimov
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0aa4e70653
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Update .gitlab-ci.yml
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3 years ago |
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Alex Selimov
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80c2fd1d8a
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Update .gitlab-ci.yml
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3 years ago |
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Alex Selimov
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200116665a
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Update mkdocs.yml
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3 years ago |
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Alex Selimov
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20238b5f55
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Update mkdocs.yml
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3 years ago |
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Alex Selimov
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79fa4b3cb7
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Merge branch 'development' of gitlab.com:aselimov/cacmb into development
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3 years ago |
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Alex Selimov
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7979ad1093
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Fix overlap command
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3 years ago |
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Alex Selimov
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3210523eb9
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Update .gitlab-ci.yml
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3 years ago |
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Alex Selimov
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ecdabe23a6
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Update .gitlab-ci.yml
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3 years ago |
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Alex Selimov
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5c50ce8765
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Add first/last flag
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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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a54215d024
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Fix all_new option
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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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4b9589e7b3
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Fix to dynamic allocation
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3 years ago |
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Alex Selimov
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c84383b5e1
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Makefile.dep
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3 years ago |
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Alex Selimov
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66645c8dfc
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Added opt_bubble
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3 years ago |
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Alex Selimov
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8733dfe2e0
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Update dependencies for building
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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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b684e0754b
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Add mode_da and fixes to io
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3 years ago |
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Alex Selimov
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d2aeb5a7f6
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Add documentation
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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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7ee87c767f
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Merge in insert command for group option
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3 years ago |
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Alex Selimov
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6119366b24
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Remove debug statement
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3 years ago |
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Alex Selimov
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7a39612164
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Add norefine option
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3 years ago |
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Alex Selimov
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db8428113d
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Changes to restart file format
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3 years ago |
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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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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 |
