Alex Selimov
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d9920bbef0
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Lots of accumulated fixes to various functionality with cacmb
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3 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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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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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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5c50ce8765
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Add first/last flag
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3 years ago |
|
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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4 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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4 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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4 years ago |
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Alex Selimov
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6119366b24
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Remove debug statement
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4 years ago |
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Alex Selimov
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7a39612164
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Add norefine option
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4 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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4 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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4 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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4 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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4 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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4 years ago |
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Alex Selimov
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90bdc160cb
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Update to Make file and working compile
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4 years ago |
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Alex Selimov
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361c8cae53
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Some fixes to opt_disl code
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4 years ago |
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Alex Selimov
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77ef2bd063
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Update metric file to make it similar to the xyz file in io subroutine
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4 years ago |
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Alex Selimov
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f9ffd4ddb1
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Current working version of insert group
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4 years ago |
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Alex Selimov
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fe3cc92bc0
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Fix problem with set_types
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4 years ago |
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Alex Selimov
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5370a5d26b
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Merge ft--disl
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4 years ago |
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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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4 years ago |
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Alex Selimov
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1c7c028dd8
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Merge branch 'ft--group-shell' into development
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4 years ago |
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Alex Selimov
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29df0f9eb2
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Fix to opt_group which got the code working
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4 years ago |
|
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 |
|
Alex Selimov
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4f3d88b774
|
Fix to reading and writing .xyz data
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4 years ago |
|
Alex Selimov
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f92e80f9db
|
Added fixes to redef_box and to writing pycac restart files
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4 years ago |
|
Alex Selimov
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077574ea8d
|
Added disl option
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4 years ago |
|
Alex Selimov
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0620a07847
|
Added some calc and metric changes
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4 years ago |
|
Alex Selimov
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153b95194f
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Mode calc with tot_virial calculation
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4 years ago |
|
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 |
|
Alex Selimov
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a528dc4c52
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Final fix to get working opt_slip_plane
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4 years ago |
|
Alex Selimov
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068b5d99a9
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Fix to gfortran compatibility
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4 years ago |
|
Alex Selimov
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84a84e578a
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Working version of slip_plane ooption with effill
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4 years ago |
|
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 |
|
Alex Selimov
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fa38875296
|
merge changes
|
4 years ago |
|
Alex Selimov
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51079148cc
|
Get code working with gfortran
|
4 years ago |
