Skip to content

GitLab

Explore

Sign in

Primary navigation

Project

P

PuReMD
- Activity
- Members
- Labels
- Issues
- Issue boards
- Milestones
- Iterations
- Wiki
- Requirements
- Releases
- Model registry
- Incidents

Snippets Groups Projects

9756e5bc

Commit 9756e5bc authored 3 years ago by Kurt A. O'Hearn

Downloads
- Plain Diff

Merge branch 'master' into pg-puremd-charge-solver-opt-sdsc-hackaton.

parents a2128d6e 8370ad19

No related branches found

No related tags found

No related merge requests found

Changes 29

Expand all Hide whitespace changes

Inline Side-by-side

Showing

PG-PuReMD/src/allocate.c 56 additions, 0 deletions

PG-PuReMD/src/allocate.c
PG-PuReMD/src/basic_comm.c 0 additions, 40 deletions

PG-PuReMD/src/basic_comm.c
PG-PuReMD/src/basic_comm.h 0 additions, 4 deletions

PG-PuReMD/src/basic_comm.h
PG-PuReMD/src/charges.c 50 additions, 48 deletions

PG-PuReMD/src/charges.c
PG-PuReMD/src/init_md.c 28 additions, 0 deletions

PG-PuReMD/src/init_md.c
PG-PuReMD/src/lin_alg.c 1327 additions, 1166 deletions

PG-PuReMD/src/lin_alg.c
PG-PuReMD/src/lin_alg.h 24 additions, 7 deletions

PG-PuReMD/src/lin_alg.h
PG-PuReMD/src/vector.h 169 additions, 14 deletions

PG-PuReMD/src/vector.h
sPuReMD/src/allocate.c 28 additions, 43 deletions

sPuReMD/src/allocate.c
sPuReMD/src/analyze.c 17 additions, 17 deletions

sPuReMD/src/analyze.c
sPuReMD/src/charges.c 32 additions, 51 deletions

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

sPuReMD/src/control.c
sPuReMD/src/ffield.c 57 additions, 89 deletions

sPuReMD/src/ffield.c
sPuReMD/src/forces.c 561 additions, 427 deletions

sPuReMD/src/forces.c
sPuReMD/src/geo_tools.c 68 additions, 23 deletions

sPuReMD/src/geo_tools.c
sPuReMD/src/grid.c 92 additions, 92 deletions

sPuReMD/src/grid.c
sPuReMD/src/init_md.c 322 additions, 338 deletions

sPuReMD/src/init_md.c
sPuReMD/src/io_tools.c 36 additions, 36 deletions

sPuReMD/src/io_tools.c
sPuReMD/src/lin_alg.c 106 additions, 90 deletions

sPuReMD/src/lin_alg.c
sPuReMD/src/list.c 18 additions, 18 deletions

sPuReMD/src/list.c

with 2999 additions and 2511 deletions

Loading

0% Loading or .

You are about to add 0 people to the discussion. Proceed with caution.

Finish editing this message first!

Please register or sign in to comment