sPuReMD: corrections to van der Waals calculations to match reference Fortran ReaxFF code.
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- sPuReMD/src/ffield.c 28 additions, 29 deletionssPuReMD/src/ffield.c
- sPuReMD/src/forces.c 37 additions, 4 deletionssPuReMD/src/forces.c
- sPuReMD/src/init_md.c 2 additions, 2 deletionssPuReMD/src/init_md.c
- sPuReMD/src/two_body_interactions.c 76 additions, 48 deletionssPuReMD/src/two_body_interactions.c
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