sPuReMD, PG-PuReMD: add control file keyword (include_polarization_energy) to...
sPuReMD, PG-PuReMD: add control file keyword (include_polarization_energy) to toggle polarization energy calcuation in ReaxFF.
Showing
- PG-PuReMD/src/control.c 6 additions, 0 deletionsPG-PuReMD/src/control.c
- PG-PuReMD/src/cuda/cuda_nonbonded.cu 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_nonbonded.cu
- PG-PuReMD/src/nonbonded.c 8 additions, 2 deletionsPG-PuReMD/src/nonbonded.c
- PG-PuReMD/src/reax_types.h 2 additions, 0 deletionsPG-PuReMD/src/reax_types.h
- sPuReMD/src/control.c 5 additions, 0 deletionssPuReMD/src/control.c
- sPuReMD/src/nonbonded.c 8 additions, 2 deletionssPuReMD/src/nonbonded.c
- sPuReMD/src/reax_types.h 2 additions, 0 deletionssPuReMD/src/reax_types.h
Loading
Please register or sign in to comment