PG-PuReMD/src/cuda_utils.cu

PG-PuReMD/src/parallelreax.c

PG-PuReMD/src/reax_types.h

configure.ac

data/benchmarks/organic/POPC_ALL_H2O2_1_b.pdb

data/benchmarks/organic/ffield-bio

data/benchmarks/petn/ffield.petn

data/benchmarks/petn/lammps/data.reax

data/benchmarks/petn/lammps/ffield.reax

data/benchmarks/petn/petn.pdb

data/benchmarks/water/water_6540.pdb

environ/param.gpu.water

sPuReMD/configure.ac

sPuReMD/src/GMRES.c

sPuReMD/src/GMRES.h

sPuReMD/src/QEq.c

sPuReMD/src/QEq.h

sPuReMD/src/grid.c

sPuReMD/src/init_md.c

sPuReMD/src/mytypes.h