sPuReMD: remove defunct SuperLU code. Add boilerplate code for ILUT. Other cleanup work. (044bc618) · Commits · SParTA / PuReMD · GitLab

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044bc618

Commit 044bc618 authored 6 years ago by Kurt A. O'Hearn

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sPuReMD: remove defunct SuperLU code. Add boilerplate code for ILUT. Other cleanup work.

parent e1460c68

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Changes 17

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configure.ac 0 additions, 10 deletions

configure.ac
environ/param.gpu.water 7 additions, 7 deletions

environ/param.gpu.water
sPuReMD/configure.ac 0 additions, 41 deletions

sPuReMD/configure.ac
sPuReMD/src/; 1391 additions, 0 deletions

sPuReMD/src/;
sPuReMD/src/box.c 1 addition, 1 deletion

sPuReMD/src/box.c
sPuReMD/src/box.h 1 addition, 1 deletion

sPuReMD/src/box.h
sPuReMD/src/charges.c 139 additions, 276 deletions

sPuReMD/src/charges.c
sPuReMD/src/init_md.c 145 additions, 209 deletions

sPuReMD/src/init_md.c
sPuReMD/src/integrate.c 156 additions, 119 deletions

sPuReMD/src/integrate.c
sPuReMD/src/integrate.h 8 additions, 9 deletions

sPuReMD/src/integrate.h
sPuReMD/src/lin_alg.c 183 additions, 568 deletions

sPuReMD/src/lin_alg.c
sPuReMD/src/lin_alg.h 6 additions, 11 deletions

sPuReMD/src/lin_alg.h
sPuReMD/src/neighbors.c 1 addition, 1 deletion

sPuReMD/src/neighbors.c
sPuReMD/src/print_utils.c 1 addition, 1 deletion

sPuReMD/src/print_utils.c
sPuReMD/src/reax_types.h 14 additions, 10 deletions

sPuReMD/src/reax_types.h
sPuReMD/src/traj.c 1 addition, 1 deletion

sPuReMD/src/traj.c
sPuReMD/src/two_body_interactions.c 3 additions, 2 deletions

sPuReMD/src/two_body_interactions.c

with 2057 additions and 1267 deletions

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