Aidan Thompson 3861b3cbbb ComputeSnap is working with, matching results FitSNAP3 A matrix

2019-11-16 18:20:08 -07:00

..

compute_sna_atom.cpp

more rearranging of include file order to put implementation headers first

2019-07-03 21:57:39 -04:00

compute_sna_atom.h

Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.

2019-06-12 16:42:28 -06:00

compute_snad_atom.cpp

Merge branch 'master' into improve-include-consistency

2019-07-09 14:50:00 -04:00

compute_snad_atom.h

Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.

2019-06-12 16:42:28 -06:00

compute_snap.cpp

ComputeSnap is working with, matching results FitSNAP3 A matrix

2019-11-16 18:20:08 -07:00

compute_snap.h

ComputeSnap is working with, matching results FitSNAP3 A matrix

2019-11-16 18:20:08 -07:00

compute_snav_atom.cpp

Merge branch 'master' into improve-include-consistency

2019-07-09 14:50:00 -04:00

compute_snav_atom.h

Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.

2019-06-12 16:42:28 -06:00

pair_snap.cpp

whitespace cleanup: remove trailing blanks

2019-11-03 11:03:39 -05:00

pair_snap.h

Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.

2019-06-12 16:42:28 -06:00

sna.cpp

whitespace cleanup: remove trailing blanks

2019-11-03 11:03:39 -05:00

sna.h

whitespace cleanup: remove trailing blanks

2019-11-03 11:03:39 -05:00