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
|
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 |
|
Alex Selimov
|
0929400d19
|
Merge branch 'ft--option-slip-plane' into development
|
4 years ago |
|
Alex Selimov
|
a528dc4c52
|
Final fix to get working opt_slip_plane
|
4 years ago |
|
Alex Selimov
|
068b5d99a9
|
Fix to gfortran compatibility
|
4 years ago |
|
Alex Selimov
|
fd901648f2
|
Update license from gplv3 to MIT
|
4 years ago |
|
Alex Selimov
|
84a84e578a
|
Working version of slip_plane ooption with effill
|
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
|
3e140df1a9
|
Correcting problem with README
|
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
|
dadc1f7a4a
|
Fixed the efill option to preserve interelement discontinuities
|
4 years ago |
|
Alex Selimov
|
c42db27f57
|
Working redef box option
|
4 years ago |
|
Alex Selimov
|
b658202a1e
|
First testing version of code
|
4 years ago |
|
Alex Selimov
|
fb236f4ab4
|
Fix to opt_orient to preserve boundary conditions
|
4 years ago |
|
Alex Selimov
|
1e1c08e546
|
Added group shape all to seleect all of a specific type
|
4 years ago |
|
Alex Selimov
|
9ed8dca69c
|
Updated docs
|
4 years ago |
|
Alex Selimov
|
73fca4a0d8
|
Added efill zigzag code which adjusts the efill option
|
4 years ago |
|
Alex Selimov
|
4c75fac13c
|
Working change group type command
|
4 years ago |
|
Alex Selimov
|
c4afde2743
|
Working changes to group
|
4 years ago |
|
Alex Selimov
|
96e2242573
|
Fix to writing pycac files
|
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
|
4 years ago |
|
Alex Selimov
|
a0ecc7da90
|
Fix to problem with read-CAC due to changes in add_atom and add_element methods)
|
4 years ago |
|
Alex Selimov
|
2fda952d3f
|
Merge read-cac branch into main branch
|
4 years ago |
|
Alex Selimov
|
a47c384a3f
|
Added tags to the element and atom arrays
|
4 years ago |
|
Alex Selimov
|
de15d0f8ae
|
Update to doc for remesh command
|
4 years ago |
|
Alex Selimov
|
338587b7b7
|
Added sphere as a possible group shape
|
4 years ago |
|
Alex Selimov
|
b52d7761e0
|
First working version of reading in .cac format. Works for two separate orientations
|
4 years ago |
|
Alex Selimov
|
d01d0b0c57
|
Quick fix to code to allow for reading in larger numbers of esizes
|
4 years ago |
|
Alex Selimov
|
65c2b380cd
|
Added flip option to group to invert group selection
|
4 years ago |
|
Alex Selimov
|
43025d0b67
|
Quick fix to efill code
|
4 years ago |
|
Alex Selimov
|
aef9da49be
|
Added greater range of element sizes
|
4 years ago |
|
Alex Selimov
|
080f19d644
|
Update .xyz file format to include element and atom files
|
4 years ago |
|
Alex Selimov
|
e5eec7a7cd
|
Added random option which can be used to create vacancy fields
|
4 years ago |
|
Alex Selimov
|
5dda0e3b81
|
Added efill option
|
5 years ago |
|
Alex Selimov
|
8693d7aaa9
|
Initial testing of efill code
|
5 years ago |
