165 Commits (e3dba9029a14697995b2df6ce821764517b50e32)

Author SHA1 Message Date
Alex Selimov 0dff3b2ca9 Restructure the command parsing loops so the mode commands only parse the mode options
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 Selimov b0941e4482 Fixes to file reading to ensure that mode_merge works correctly
5 years ago
Alex 3c7461f094 Added mode merge, adjusted how file reading works to accomodate model merge
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
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
5 years ago
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.
5 years ago
Alex Selimov fa1cb6ce58 Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style
5 years ago
Alex Selimov 591762d259 Latest attempts to get the lammpscac data format working
5 years ago
Alex Selimov c1150ae4b1 First attempts at figuring out the element format for lammpscac
5 years ago
Alex Selimov 54aa50b605 Working writing to lammpsCAC format
5 years ago
Alex ff3fc5e20a First working version of model builder with several output file types and mode_create working
5 years ago
Alex 8217e8b51c Initial commit with file writing and create mode working for atoms
5 years ago
Alex Selimov 624886bbe9 Initial commit with working atom and lattice type parsing
5 years ago