MD-Bench/gromacs
Rafael Ravedutti 1a708f2d3b Add PDB reading functions to lammps variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-24 15:17:51 +01:00
..
includes Write function to read PDB files and include data for Argon simulation 2022-02-24 02:36:17 +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 Update stats for cluster version 2022-02-08 00:55:27 +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 When building neighbor lists, skip first iterations until z is in range 2022-02-07 18:28:53 +01:00
pbc.c Add first kernel using SIMD instrinsics for 4xn cases 2022-02-02 18:00:44 +01:00
stats.c Add average atoms per cluster on stats 2022-02-09 17:50:54 +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