rafaelravedutti 459853dc25 Merge pull request #4 from RRZE-HPC/gromacs_sp ...

Gromacs sp

2022-03-15 20:31:42 +01:00

..

includes

Initial version of lammps halfneighbor list

2022-03-10 17:06:45 +01:00

allocate.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

atom.c

Add PDB reading functions to lammps variant

2022-02-24 15:17:51 +01:00

eam_utils.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

force_eam.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

force_lj.c

Initial version of lammps halfneighbor list

2022-03-10 17:06:45 +01:00

main-stub.c

Add first compilable version of Gromacs with SP

2022-03-15 02:40:56 +01:00

main.c

Initial version of lammps halfneighbor list

2022-03-10 17:06:45 +01:00

neighbor.c

Initial version of lammps halfneighbor list

2022-03-10 17:06:45 +01:00

pbc.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

stats.c

Add percentage of atoms within cutoff radius when using LAMMPS reference version

2022-02-25 14:40:33 +01:00

thermo.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

timing.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

tracing.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

util.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

vtk.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00