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
|
30dbd3bfc7
|
Latest working version of cacmb
|
3 years ago |
|
Alex Selimov
|
8fd45dc461
|
Add all new option
|
4 years ago |
|
Alex Selimov
|
0e41c7acc9
|
Lots of updates to cacmb
|
4 years ago |
|
Alex Selimov
|
e3dba9029a
|
Fix bug for writing to .xyz file after delete
|
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
|
2c42520102
|
Restructure group code, add group shell, and add refinefill option
|
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 |
|
Alex Selimov
|
0929400d19
|
Merge branch 'ft--option-slip-plane' into development
|
4 years ago |
|
Alex Selimov
|
068b5d99a9
|
Fix to gfortran compatibility
|
4 years ago |
|
Alex Selimov
|
b9ce916e42
|
Current working changes to option-slip-plane
|
4 years ago |
|
Alex Selimov
|
fa38875296
|
merge changes
|
4 years ago |
|
Alex Selimov
|
51079148cc
|
Get code working with gfortran
|
4 years ago |
|
Alex Selimov
|
f63335708b
|
Working changes
|
4 years ago |
|
Alex Selimov
|
22e250093b
|
Working changes. Working on the efill code
|
4 years ago |
|
Alex Selimov
|
b5629b1563
|
Working changes to slip_plane code
|
4 years ago |
|
Alex Selimov
|
2ea388b82a
|
Current working changes with some updates to comments for accuracy
|
4 years ago |
|
Alex Selimov
|
6e08517697
|
Working continuum metric calculation code
|
4 years ago |
Alex Selimov
|
95e2ad0b4d
|
Current working changes to control-box code
|
4 years ago |
|
Alex Selimov
|
5949f04103
|
Working read from pycac.out file format
|
4 years ago |
|
Alex Selimov
|
724e573287
|
Added deform box option and allowed for reading time information from restart files
|
4 years ago |
|
Alex Selimov
|
8d939ed942
|
Merge bcc to development branch
|
5 years ago |
|
Alex Selimov
|
2fda952d3f
|
Merge read-cac branch into main branch
|
5 years ago |
|
Alex Selimov
|
a47c384a3f
|
Added tags to the element and atom arrays
|
5 years ago |
|
Alex Selimov
|
b52d7761e0
|
First working version of reading in .cac format. Works for two separate orientations
|
5 years ago |
|
Alex Selimov
|
9ccc5f1caf
|
Replaced sorting method which resulted in broken deletion algorithm
|
5 years ago |
|
Alex Selimov
|
3a59b23be7
|
Working bcc crystal structure when viewing in .lmp or .vtk format
|
5 years ago |
Alex Selimov
|
4038cab76f
|
Latest working changes to read-CAC
|
5 years ago |
|
Alex Selimov
|
b3e05da6a4
|
Working changes for reading .cac files
|
5 years ago |
|
Alex Selimov
|
acd902db4b
|
working changes to bcc files
|
5 years ago |
|
Alex Selimov
|
44a9dbaead
|
Add tol variable replacing lim_zero as a tolerance for real checks
|
5 years ago |
|
Alex Selimov
|
0ad06a2d6b
|
Working changes to boundary command
|
5 years ago |
|
Alex Selimov
|
1a30968dca
|
Added the rand element code
|
5 years ago |
|
Alex Selimov
|
27faeee5ea
|
Working code which picks random position slightly outside element bounds
|
5 years ago |
|
Alex Selimov
|
44efb4be4a
|
Added orient and unorient options
|
5 years ago |
|
Alex
|
dc42b7b925
|
Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop
|
5 years ago |
|
Alex Selimov
|
fd143783ec
|
Added remesh option to group
|
5 years ago |
|
Alex Selimov
|
849da1d24a
|
Changes to how the adjustment to nodal positions is performed for lammpscac output
|
5 years ago |
|
Alex Selimov
|
c89b7d3b59
|
Merge branch 'ft--opt-dislloop' into development
|
5 years ago |
|
Alex Selimov
|
fbae3a1594
|
Working version of CACmb capable of building simple models for lammpsCAC
|
5 years ago |
|
Alex Selimov
|
8fc91f4dd2
|
Working planar vacancy cluster algorithm
|
5 years ago |
|
Alex Selimov
|
b3a9577cc2
|
Added writing to pycac restart file format
|
5 years ago |
|
Alex Selimov
|
c291ec65b4
|
Quick bug fix
|
5 years ago |
|
Alex
|
fb2abc60d1
|
Updates to box variables adding new sub_box variables and propagating changes through all of the modes
|
5 years ago |
