25 Commits

Author SHA1 Message Date
aselimov
889edfd314
Merge pull request #6 from aselimov/ft-write-lammpscac
Ft write lammpscac
2020-01-13 20:18:39 -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
d09ebfa7e0 Merge branch 'development' into ft-write-lammpscac 2020-01-13 17:21:44 -05:00
Alex Selimov
ba28734fd7 Working changes to write lammps cac 2020-01-13 16:54:52 -05:00
Alex Selimov
e007038b6f Merge branch 'development' of https://github.com/aselimov/CACmb into development
Cherry-picking the call_mode commit into the main development branch to work on other options
2019-12-15 18:10:43 -05:00
Alex Selimov
0dff3b2ca9 Restructure the command parsing loops so the mode commands only parse the mode options 2019-12-15 18:09:59 -05:00
aselimov
1355385ffd
Merge pull request #5 from aselimov/ft--pycac-restart
Added writing to pycac restart file format
2019-12-15 17:56:28 -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
aselimov
ce2e3d17f4
Merge pull request #4 from aselimov/bg--fixes-to-mode-merge-reading
Fixes to file reading to ensure that mode_merge works correctly
2019-12-10 19:35:46 -05:00
Alex Selimov
b0941e4482 Fixes to file reading to ensure that mode_merge works correctly 2019-12-10 19:33:46 -05:00
aselimov
95060bc0d9
Merge pull request #2 from aselimov/ft--mode-merge
Ft  mode merge
2019-12-07 13:43:23 -05:00
Alex
3c7461f094 Added mode merge, adjusted how file reading works to accomodate model merge 2019-12-07 13:39:29 -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
d624e6ed5d Added mode_convert and documentation. Created new .mb filetype which contains all necessary information for operating on simulation cells. Created framework for reading in data files, right now only .mb style files 2019-12-05 11:04:49 -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 Selimov
591762d259 Latest attempts to get the lammpscac data format working 2019-12-04 21:03:13 -05:00
Alex Selimov
c1150ae4b1 First attempts at figuring out the element format for lammpscac 2019-11-29 22:23:22 -05:00
Alex Selimov
54aa50b605 Working writing to lammpsCAC format 2019-11-29 13:36:19 -05:00
aselimov
033b44dc40
Merge pull request #1 from aselimov/ft--mode-create
Ft  mode create
2019-11-27 15:39:31 -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
aselimov
552dd3cada
Initial commit 2019-09-25 09:04:36 -04:00