sPuReMD: backport most recent QMMM changes for simulations with AmberMD. (041df5c0) · Commits · SParTA / PuReMD · GitLab

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041df5c0

Commit 041df5c0 authored 3 years ago by Kurt A. O'Hearn

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sPuReMD: backport most recent QMMM changes for simulations with AmberMD.

parent 1215f655

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Changes 4

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sPuReMD/src/charges.c 8 additions, 2 deletions

sPuReMD/src/charges.c
sPuReMD/src/forces.c 9 additions, 1 deletion

sPuReMD/src/forces.c
sPuReMD/src/neighbors.c 16 additions, 0 deletions

sPuReMD/src/neighbors.c
sPuReMD/src/spuremd.c 0 additions, 3 deletions

sPuReMD/src/spuremd.c

with 33 additions and 6 deletions

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