Aidan Thompson e17ace385d First pass at distributed memory for grid

2021-07-02 17:47:45 -06:00

..

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_sna_grid.cpp

First pass at distributed memory for grid

2021-07-02 17:47:45 -06:00

compute_sna_grid.h

Completed brute force parallel implementation using MPI_Allreduce()

2019-10-24 19:48:41 -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_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

Merge branch 'master' into improve-include-consistency

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

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

Added comm->me check

2019-10-11 11:07:02 -06:00

sna.h

Added invisible helper function to check values of Clebsch-Gordan coefficients

2019-10-10 18:32:16 -06:00