Complete ACKS2 implementation. Fix ILU_PAR/ILUT_PAR diagonal scalings bugs (absolute value). (21aca7ac) · Commits · SParTA / PuReMD · GitLab

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21aca7ac

Commit 21aca7ac authored 8 years ago by Kurt A. O'Hearn

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Complete ACKS2 implementation. Fix ILU_PAR/ILUT_PAR diagonal scalings bugs (absolute value).

parent b9f40c90

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Changes 9

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sPuReMD/src/allocate.c 2 additions, 2 deletions

sPuReMD/src/allocate.c
sPuReMD/src/charges.c 379 additions, 47 deletions

sPuReMD/src/charges.c
sPuReMD/src/control.c 4 additions, 1 deletion

sPuReMD/src/control.c
sPuReMD/src/ffield.c 1 addition, 0 deletions

sPuReMD/src/ffield.c
sPuReMD/src/forces.c 152 additions, 6 deletions

sPuReMD/src/forces.c
sPuReMD/src/init_md.c 37 additions, 4 deletions

sPuReMD/src/init_md.c
sPuReMD/src/mytypes.h 2 additions, 1 deletion

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

sPuReMD/src/print_utils.c
sPuReMD/src/testmd.c 3 additions, 4 deletions

sPuReMD/src/testmd.c

with 581 additions and 66 deletions

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