Aidan Thompson 06a199f7d0 Added gradgradflag option to compute mliap

2020-07-07 20:28:18 -06:00

..

compute_sna_atom.cpp

fix possible bug in compute sna

2020-06-30 16:33:57 -04:00

compute_sna_atom.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

compute_snad_atom.cpp

Minor tweaks

2020-06-13 17:57:08 -06:00

compute_snad_atom.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

compute_snap.cpp

Added gradgradflag option to compute mliap

2020-07-07 20:28:18 -06:00

compute_snap.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

compute_snav_atom.cpp

Minor tweaks

2020-06-13 17:57:08 -06:00

compute_snav_atom.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

pair_snap.cpp

Minor tweaks

2020-06-13 17:57:08 -06:00

pair_snap.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

sna.cpp

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

sna.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00