Alex Selimov
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612cea3891
|
Fix group implementation to abide by new atom type formulation
|
3 years ago |
|
Alex Selimov
|
a9833f53bf
|
Change bubble code from pressure to ratio
|
3 years ago |
|
Alex Selimov
|
044bfe7e7f
|
Fix bug in neighbors
|
3 years ago |
|
Alex Selimov
|
d5d20e468c
|
Improve dislocation analysis in coarse-grained regions and add character analysis
|
3 years ago |
|
Alex Selimov
|
59a0c18779
|
Change implementation to make atom types a bit better
|
3 years ago |
|
Alex Selimov
|
f9e7f68676
|
Add ability for even numbered elements
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3 years ago |
|
Alex Selimov
|
de8b4e168a
|
Refactor to remove sub boxes from CACmb code, functionality was not useful and became detrimental for generation of new models
|
3 years ago |
|
Alex Selimov
|
d9920bbef0
|
Lots of accumulated fixes to various functionality with cacmb
|
3 years ago |
|
Alex Selimov
|
1114a46c60
|
Add velocity reading to pycac_out files and fix to interp_atoms
|
3 years ago |
|
Alex Selimov
|
f0fd76f12d
|
Latest working version of cacmb
|
3 years ago |
|
Alex Selimov
|
fbaca5859b
|
Fix to box bound
|
3 years ago |
|
Alex Selimov
|
8eac9be895
|
Fix stress calculation
|
3 years ago |
|
Alex Selimov
|
586c1f002c
|
Another fix to overlap command
|
3 years ago |
|
Alex Selimov
|
b530b15397
|
Fix opt_delete overlap
|
3 years ago |
|
Alex Selimov
|
7979ad1093
|
Fix overlap command
|
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
|
4b9589e7b3
|
Fix to dynamic allocation
|
4 years ago |
|
Alex Selimov
|
c84383b5e1
|
Makefile.dep
|
4 years ago |
|
Alex Selimov
|
66645c8dfc
|
Added opt_bubble
|
4 years ago |
|
Alex Selimov
|
8733dfe2e0
|
Update dependencies for building
|
4 years ago |
|
Alex Selimov
|
0e41c7acc9
|
Lots of updates to cacmb
|
4 years ago |
|
Alex Selimov
|
b684e0754b
|
Add mode_da and fixes to io
|
4 years ago |
|
Alex Selimov
|
e3dba9029a
|
Fix bug for writing to .xyz file after delete
|
4 years ago |
|
Alex Selimov
|
7ee87c767f
|
Merge in insert command for group option
|
4 years ago |
|
Alex Selimov
|
6119366b24
|
Remove debug statement
|
4 years ago |
|
Alex Selimov
|
7a39612164
|
Add norefine option
|
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
|
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
|
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
|
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 |
|
Alex Selimov
|
f92e80f9db
|
Added fixes to redef_box and to writing pycac restart files
|
4 years ago |
|
Alex Selimov
|
077574ea8d
|
Added disl option
|
4 years ago |
|
Alex Selimov
|
0620a07847
|
Added some calc and metric changes
|
4 years ago |
|
Alex Selimov
|
153b95194f
|
Mode calc with tot_virial calculation
|
4 years ago |
|
Alex Selimov
|
4dcaddb2cb
|
Manual merge of control box code
|
4 years ago |
