sPuReMD: clean-up EE and ACKS2 codes. (70d872fe) · Commits · SParTA / PuReMD · GitLab

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70d872fe

Commit 70d872fe authored 7 years ago by Kurt A. O'Hearn

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sPuReMD: clean-up EE and ACKS2 codes.

parent bfe478fe

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.gitignore 6 additions, 0 deletions

.gitignore
data/benchmarks/water/ffield_Achtyl 424 additions, 0 deletions

data/benchmarks/water/ffield_Achtyl
data/benchmarks/water/ffield_acks2.water 364 additions, 0 deletions

data/benchmarks/water/ffield_acks2.water
data/benchmarks/water/ffield_acks2_300.water 364 additions, 0 deletions

data/benchmarks/water/ffield_acks2_300.water
environ/param.gpu.water 3 additions, 0 deletions

environ/param.gpu.water
sPuReMD/src/charges.c 385 additions, 322 deletions

sPuReMD/src/charges.c
sPuReMD/src/forces.c 5 additions, 4 deletions

sPuReMD/src/forces.c
sPuReMD/src/init_md.c 3 additions, 12 deletions

sPuReMD/src/init_md.c
sPuReMD/src/mytypes.h 1 addition, 5 deletions

sPuReMD/src/mytypes.h
sPuReMD/src/print_utils.c 48 additions, 2 deletions

sPuReMD/src/print_utils.c
sPuReMD/src/print_utils.h 3 additions, 1 deletion

sPuReMD/src/print_utils.h
sPuReMD/src/vector.c 1 addition, 1 deletion

sPuReMD/src/vector.c

with 1607 additions and 347 deletions

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