PuReMD: from half to full far neighbor list, etor and econj slightly differ (26da8821) · Commits · SParTA / PuReMD · GitLab

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26da8821

Commit 26da8821 authored 6 years ago by Alperen, Abdullah

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PuReMD: from half to full far neighbor list, etor and econj slightly differ

parent f74a7371

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PuReMD/src/#basic_comm.c# 322 additions, 0 deletions

PuReMD/src/#basic_comm.c#
PuReMD/src/bond_orders.c 68 additions, 57 deletions

PuReMD/src/bond_orders.c
PuReMD/src/forces.c 126 additions, 74 deletions

PuReMD/src/forces.c
PuReMD/src/geo_tools.c 2 additions, 2 deletions

PuReMD/src/geo_tools.c
PuReMD/src/linear_solvers.c 27 additions, 0 deletions

PuReMD/src/linear_solvers.c
PuReMD/src/my* 67 additions, 0 deletions

PuReMD/src/my*
PuReMD/src/neighbors.c 41 additions, 10 deletions

PuReMD/src/neighbors.c
PuReMD/src/nonbonded.c 4 additions, 0 deletions

PuReMD/src/nonbonded.c
PuReMD/src/reax_types.h 1 addition, 0 deletions

PuReMD/src/reax_types.h

with 658 additions and 143 deletions

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