Alex Selimov
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d9920bbef0
|
Lots of accumulated fixes to various functionality with cacmb
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3 years ago |
|
Alex Selimov
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1114a46c60
|
Add velocity reading to pycac_out files and fix to interp_atoms
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3 years ago |
|
Alex Selimov
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f0fd76f12d
|
Latest working version of cacmb
|
3 years ago |
|
Alex Selimov
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fbaca5859b
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Fix to box bound
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3 years ago |
|
Alex Selimov
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8eac9be895
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Fix stress calculation
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3 years ago |
|
Alex Selimov
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586c1f002c
|
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 |
|
Alex Selimov
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b530b15397
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Fix opt_delete overlap
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3 years ago |
|
Alex Selimov
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0aa4e70653
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Update .gitlab-ci.yml
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3 years ago |
|
Alex Selimov
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80c2fd1d8a
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Update .gitlab-ci.yml
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3 years ago |
|
Alex Selimov
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200116665a
|
Update mkdocs.yml
|
3 years ago |
|
Alex Selimov
|
20238b5f55
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Update mkdocs.yml
|
3 years ago |
|
Alex Selimov
|
79fa4b3cb7
|
Merge branch 'development' of gitlab.com:aselimov/cacmb into development
|
3 years ago |
|
Alex Selimov
|
7979ad1093
|
Fix overlap command
|
3 years ago |
|
Alex Selimov
|
3210523eb9
|
Update .gitlab-ci.yml
|
3 years ago |
|
Alex Selimov
|
ecdabe23a6
|
Update .gitlab-ci.yml
|
3 years ago |
|
Alex Selimov
|
5c50ce8765
|
Add first/last flag
|
3 years ago |
|
Alex Selimov
|
30dbd3bfc7
|
Latest working version of cacmb
|
3 years ago |
|
Alex Selimov
|
a54215d024
|
Fix all_new option
|
4 years ago |
|
Alex Selimov
|
8fd45dc461
|
Add all new option
|
4 years ago |
|
Alex Selimov
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4b9589e7b3
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Fix to dynamic allocation
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4 years ago |
|
Alex Selimov
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c84383b5e1
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Makefile.dep
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4 years ago |
|
Alex Selimov
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66645c8dfc
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Added opt_bubble
|
4 years ago |
|
Alex Selimov
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8733dfe2e0
|
Update dependencies for building
|
4 years ago |
|
Alex Selimov
|
0e41c7acc9
|
Lots of updates to cacmb
|
4 years ago |
|
Alex Selimov
|
b684e0754b
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Add mode_da and fixes to io
|
4 years ago |
|
Alex Selimov
|
d2aeb5a7f6
|
Add documentation
|
4 years ago |
|
Alex Selimov
|
e3dba9029a
|
Fix bug for writing to .xyz file after delete
|
4 years ago |
|
Alex Selimov
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7ee87c767f
|
Merge in insert command for group option
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4 years ago |
|
Alex Selimov
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6119366b24
|
Remove debug statement
|
4 years ago |
|
Alex Selimov
|
7a39612164
|
Add norefine option
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4 years ago |
|
Alex Selimov
|
db8428113d
|
Changes to restart file format
|
4 years ago |
|
Alex Selimov
|
8298c21503
|
Updates to metric and emrge and adding read_lmp
|
4 years ago |
|
Alex Selimov
|
85135e7c95
|
More compatability fixes for new version of CAC
|
4 years ago |
|
Alex Selimov
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2e7571cfa5
|
Update to change style of restart and pycac.out files
|
4 years ago |
|
Alex Selimov
|
fc8186f3a1
|
Update to match new cac inputs/output formats
|
4 years ago |
|
Alex Selimov
|
90bdc160cb
|
Update to Make file and working compile
|
4 years ago |
|
Alex Selimov
|
24b1647754
|
Merge branch 'development' of gitlab.com:aselimov/cacmb into development
|
4 years ago |
|
Alex Selimov
|
361c8cae53
|
Some fixes to opt_disl code
|
4 years ago |
|
Alex Selimov
|
77ef2bd063
|
Update metric file to make it similar to the xyz file in io subroutine
|
4 years ago |
|
Alex Selimov
|
f9ffd4ddb1
|
Current working version of insert group
|
4 years ago |
|
Alex Selimov
|
fe3cc92bc0
|
Fix problem with set_types
|
4 years ago |
|
Alex Selimov
|
6bd6ce3263
|
Merge branch 'revert-fd901648' into 'development'
Revert "Update license from gplv3 to MIT"
See merge request aselimov/cacmb!3
|
4 years ago |
|
Alex Selimov
|
7a55aa03de
|
Revert "Update license from gplv3 to MIT"
This reverts commit fd901648f2
|
4 years ago |
|
Alex Selimov
|
5370a5d26b
|
Merge ft--disl
|
4 years ago |
|
Alex Selimov
|
fa5047b735
|
Fix to error checking in writing .xyz files
|
4 years ago |
|
Alex Selimov
|
1c7c028dd8
|
Merge branch 'ft--group-shell' into development
|
4 years ago |
|
Alex Selimov
|
29df0f9eb2
|
Fix to opt_group which got the code working
|
4 years ago |
|
Alex Selimov
|
2c42520102
|
Restructure group code, add group shell, and add refinefill option
|
4 years ago |
|
Alex Selimov
|
4f3d88b774
|
Fix to reading and writing .xyz data
|
4 years ago |
