19 Commits

Author SHA1 Message Date
Alex Selimov
44a9dbaead Add tol variable replacing lim_zero as a tolerance for real checks 2020-03-13 15:11:22 -04:00
Alex Selimov
0ad06a2d6b Working changes to boundary command 2020-03-05 16:19:30 -05:00
Alex Selimov
1a30968dca Added the rand element code 2020-03-04 21:04:39 -05:00
Alex Selimov
27faeee5ea Working code which picks random position slightly outside element bounds 2020-03-02 12:24:22 -05:00
Alex Selimov
44efb4be4a Added orient and unorient options 2020-02-03 17:30:41 -05:00
Alex
dc42b7b925 Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop 2020-01-29 10:25:33 -05:00
Alex Selimov
fd143783ec Added remesh option to group 2020-01-28 09:36:00 -05:00
Alex Selimov
849da1d24a Changes to how the adjustment to nodal positions is performed for lammpscac output 2020-01-15 09:39:30 -05:00
Alex Selimov
c89b7d3b59 Merge branch 'ft--opt-dislloop' into development 2020-01-13 20:24:15 -05:00
Alex Selimov
fbae3a1594 Working version of CACmb capable of building simple models for lammpsCAC 2020-01-13 20:12:46 -05:00
Alex Selimov
8fc91f4dd2 Working planar vacancy cluster algorithm 2020-01-13 09:42:57 -05:00
Alex Selimov
b3a9577cc2 Added writing to pycac restart file format 2019-12-15 17:55:31 -05:00
Alex Selimov
c291ec65b4 Quick bug fix 2019-12-13 13:44:17 -05:00
Alex
fb2abc60d1 Updates to box variables adding new sub_box variables and propagating changes through all of the modes 2019-12-07 13:38:52 -05:00
Alex Selimov
03f69c6df7 Removed extra variables from mode_create.f90, added a new module to contain simulation box information and changed code accordingly, new grow subroutine in elements. 2019-12-05 11:03:18 -05:00
Alex Selimov
fa1cb6ce58 Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style 2019-12-05 08:36:22 -05:00
Alex
ff3fc5e20a First working version of model builder with several output file types and mode_create working 2019-11-27 15:10:28 -05:00
Alex
8217e8b51c Initial commit with file writing and create mode working for atoms 2019-11-25 18:19:25 -05:00
Alex Selimov
624886bbe9 Initial commit with working atom and lattice type parsing 2019-09-25 20:11:10 -04:00