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3a8d1163

Commit 3a8d1163 authored 5 years ago by Kurt A. O'Hearn

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sPuReMD: complete fine-grained Cholesky implementation. TODO: fix numeric...

sPuReMD: complete fine-grained Cholesky implementation. TODO: fix numeric breakdowns with water 6540 atom system.

parent e54cdfd0

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sPuReMD/src/charges.c 12 additions, 3 deletions

sPuReMD/src/charges.c
sPuReMD/src/lin_alg.c 146 additions, 98 deletions

sPuReMD/src/lin_alg.c
sPuReMD/src/lin_alg.h 2 additions, 4 deletions

sPuReMD/src/lin_alg.h

with 160 additions and 105 deletions

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