MD-Bench/gromacs
Rafael Ravedutti 47db9e86b0 Introduce common directory
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-08-17 17:20:57 +02:00
..
includes Introduce common directory 2022-08-17 17:20:57 +02:00
allocate.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +01:00
atom.c Add first working version with 4x8 config (ref kernel) 2022-03-10 22:33:41 +01:00
eam_utils.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +01:00
force_eam.c Add first version of force calculation with cluster scheme 2022-01-28 18:07:41 +01:00
force_lj.c Add option to check if cj is local before applying reaction force 2022-04-04 21:52:40 +02:00
main-stub.c Add first draft version of GROMACS method separating i-clusters and j-clusters 2022-03-09 02:25:39 +01:00
main.c Enhance output for gromacs variant 2022-08-16 19:32:49 +02:00
neighbor.c Add first version for half neighbor lists in GROMACS variant 2022-03-22 23:47:05 +01:00
parameter.c Enhance output for gromacs variant 2022-08-16 19:32:49 +02:00
pbc.c Add first working version with 4x8 config (ref kernel) 2022-03-10 22:33:41 +01:00
stats.c Make code compilable 2022-03-09 17:23:49 +01:00
thermo.c Allow parameter reading from files and update data 2022-03-05 03:21:52 +01:00
timing.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +01:00
tracing.c Add first version of force calculation with cluster scheme 2022-01-28 18:07:41 +01:00
vtk.c Make code compilable 2022-03-09 17:23:49 +01:00
xtc.c Make code compilable 2022-03-09 17:23:49 +01:00