MD-Bench/gromacs
Rafael Ravedutti e637a26844 Add percentage of atoms within cutoff radius when using GROMACS reference version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-25 14:19:48 +01:00
..
includes Add percentage of atoms within cutoff radius when using GROMACS reference version 2022-02-25 14:19:48 +01:00
allocate.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +01:00
atom.c Add PDB reading functions to lammps variant 2022-02-24 15:17:51 +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 percentage of atoms within cutoff radius when using GROMACS reference version 2022-02-25 14:19:48 +01:00
main-stub.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +01:00
main.c Separate local and ghost cluster edges on VTK output 2022-02-08 16:12:22 +01:00
neighbor.c Fix argon simulation 2022-02-24 16:42:58 +01:00
pbc.c Add first kernel using SIMD instrinsics for 4xn cases 2022-02-02 18:00:44 +01:00
stats.c Add percentage of atoms within cutoff radius when using GROMACS reference version 2022-02-25 14:19:48 +01:00
thermo.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +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
util.c Add first version with more than one optimization scheme 2022-01-17 14:15:02 +01:00
vtk.c Separate local and ghost cluster edges on VTK output 2022-02-08 16:12:22 +01:00