PG-PuReMD/src · 5968dd991cb3146140a8fcc1a06b40ab1de9f238 · SParTA / PuReMD

PG-PuReMD: begin merging preconditioner code from sPuReMD. Make data...

Kurt A. O'Hearn authored 6 years ago

PG-PuReMD: begin merging preconditioner code from sPuReMD. Make data structures between sPuReMD and PG-PuReMD consistent. Update control file parsing.

5968dd99

History

5968dd99 6 years ago

History

Name	Last commit	Last update
..
cuda
cub @ d622848f
allocate.c
allocate.h
analyze.c
analyze.h
basic_comm.c
basic_comm.h
bond_orders.c
bond_orders.h
bonds.c
bonds.h
box.c
box.h
charges.c
charges.h
comm_tools.c
comm_tools.h
control.c
control.h
ffield.c
ffield.h
forces.c
forces.h
geo_tools.c
geo_tools.h
grid.c
grid.h
hydrogen_bonds.c
hydrogen_bonds.h
index_utils.h
init_md.c
init_md.h
integrate.c
integrate.h
io_tools.c
io_tools.h
lin_alg.c
lin_alg.h
list.c
list.h
lookup.c
lookup.h
multi_body.c
multi_body.h
neighbors.c
neighbors.h
nonbonded.c
nonbonded.h
parallelreax.c
random.c
random.h
reax_types.h
reset_tools.c
reset_tools.h
restart.c
restart.h
system_props.c
system_props.h
tool_box.c
tool_box.h
torsion_angles.c
torsion_angles.h
traj.c
traj.h
valence_angles.c
valence_angles.h
vector.h