sPuReMD: corrections for pressure calculations (virial).
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- sPuReMD/src/bond_orders.c 127 additions, 117 deletionssPuReMD/src/bond_orders.c
- sPuReMD/src/control.c 2 additions, 2 deletionssPuReMD/src/control.c
- sPuReMD/src/forces.c 4 additions, 3 deletionssPuReMD/src/forces.c
- sPuReMD/src/hydrogen_bonds.c 27 additions, 25 deletionssPuReMD/src/hydrogen_bonds.c
- sPuReMD/src/init_md.c 11 additions, 11 deletionssPuReMD/src/init_md.c
- sPuReMD/src/integrate.c 6 additions, 6 deletionssPuReMD/src/integrate.c
- sPuReMD/src/io_tools.c 12 additions, 22 deletionssPuReMD/src/io_tools.c
- sPuReMD/src/nonbonded.c 41 additions, 38 deletionssPuReMD/src/nonbonded.c
- sPuReMD/src/reax_types.h 143 additions, 52 deletionssPuReMD/src/reax_types.h
- sPuReMD/src/reset_tools.c 2 additions, 3 deletionssPuReMD/src/reset_tools.c
- sPuReMD/src/spuremd.c 11 additions, 4 deletionssPuReMD/src/spuremd.c
- sPuReMD/src/system_props.c 20 additions, 50 deletionssPuReMD/src/system_props.c
- sPuReMD/src/torsion_angles.c 65 additions, 44 deletionssPuReMD/src/torsion_angles.c
- sPuReMD/src/traj.c 1 addition, 1 deletionsPuReMD/src/traj.c
- sPuReMD/src/valence_angles.c 15 additions, 16 deletionssPuReMD/src/valence_angles.c
- sPuReMD/src/vector.h 4 additions, 4 deletionssPuReMD/src/vector.h
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