Axel Kohlmeyer 111817ce32 also print pair coeff setflag status when not all pair coeffs are set

2025-03-15 21:16:07 -04:00

..

compute_gaussian_grid_local.cpp

Removed debug comments/old printfs etc.

2025-01-21 17:09:04 +01:00

compute_gaussian_grid_local.h

Fixed formatting issues

2024-12-06 09:37:09 +01:00

compute_grid_local.cpp

Removed debug comments/old printfs etc.

2025-01-21 17:09:04 +01:00

compute_grid_local.h

update developer reference text

2022-10-24 11:08:26 -04:00

compute_grid.cpp

Removed debug comments/old printfs etc.

2025-01-21 17:09:04 +01:00

compute_grid.h

update developer reference text

2022-10-24 11:08:26 -04:00

compute_sna_atom.cpp

second round of include-what-you-use updates

2024-02-28 15:37:13 -05:00

compute_sna_atom.h

whitespace fixes

2023-11-29 01:35:49 -05:00

compute_sna_grid_local.cpp

Destruct sna/grid/local/kk properly and use local arrays

2023-07-09 10:20:45 -06:00

compute_sna_grid_local.h

Initial sna/grid/local/kk implement

2023-07-07 17:08:41 -06:00

compute_sna_grid.cpp

Organize sna method calls and clean up

2023-04-10 17:18:00 -06:00

compute_sna_grid.h

Add all SNAP computations and 4D view Kokkos memory allocator

2023-04-08 11:19:07 -06:00

compute_snad_atom.cpp

getting out of the insurance business :-)

2023-01-23 16:45:41 -05:00

compute_snad_atom.h

update developer reference text

2022-10-24 11:08:26 -04:00

compute_snap.cpp

modernize and consolidate ML compute styles

2024-02-27 20:55:52 -05:00

compute_snap.h

modernize and consolidate ML compute styles

2024-02-27 20:55:52 -05:00

compute_snav_atom.cpp

getting out of the insurance business :-)

2023-01-23 16:45:41 -05:00

compute_snav_atom.h

update developer reference text

2022-10-24 11:08:26 -04:00

pair_snap.cpp

also print pair coeff setflag status when not all pair coeffs are set

2025-03-15 21:16:07 -04:00

pair_snap.h

update developer reference text

2022-10-24 11:08:26 -04:00

sna.cpp

get rid of some non-ASCII characters

2024-09-25 22:01:42 -04:00

sna.h

update developer reference text

2022-10-24 11:08:26 -04:00