Merge with branch full-far-nbrs-list-charge-matrix at commit 65d820. (d8cfdd7f) · Commits · SParTA / PuReMD · GitLab

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d8cfdd7f

Commit d8cfdd7f authored 6 years ago by Kurt A. O'Hearn

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Merge with branch full-far-nbrs-list-charge-matrix at commit 65d820.

parents d7897f19 65d8207b

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PuReMD/Makefile.am 2 additions, 2 deletions

PuReMD/Makefile.am
PuReMD/configure.ac 25 additions, 17 deletions

PuReMD/configure.ac
PuReMD/src/allocate.c 47 additions, 1 deletion

PuReMD/src/allocate.c
PuReMD/src/basic_comm.c 111 additions, 0 deletions

PuReMD/src/basic_comm.c
PuReMD/src/comm_tools.c 141 additions, 0 deletions

PuReMD/src/comm_tools.c
PuReMD/src/ffield.c 1 addition, 5 deletions

PuReMD/src/ffield.c
PuReMD/src/forces.c 1 addition, 0 deletions

PuReMD/src/forces.c
PuReMD/src/geo_tools.c 6 additions, 14 deletions

PuReMD/src/geo_tools.c
PuReMD/src/io_tools.c 145 additions, 318 deletions

PuReMD/src/io_tools.c
PuReMD/src/linear_solvers.c 0 additions, 2 deletions

PuReMD/src/linear_solvers.c
PuReMD/src/reax_defs.h 0 additions, 1 deletion

PuReMD/src/reax_defs.h
PuReMD/src/reax_types.h 6 additions, 1 deletion

PuReMD/src/reax_types.h
PuReMD/src/restart.c 8 additions, 24 deletions

PuReMD/src/restart.c
PuReMD/src/torsion_angles.c 1 addition, 1 deletion

PuReMD/src/torsion_angles.c
PuReMD/src/traj.c 4 additions, 4 deletions

PuReMD/src/traj.c

with 498 additions and 390 deletions

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