sPuReMD: finalize corrections for pressure calculations. Change output units...
sPuReMD: finalize corrections for pressure calculations. Change output units from GPa to ATMs. Other formatting changes.
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- sPuReMD/src/charges.c 12 additions, 16 deletionssPuReMD/src/charges.c
- sPuReMD/src/forces.c 15 additions, 12 deletionssPuReMD/src/forces.c
- sPuReMD/src/hydrogen_bonds.c 28 additions, 19 deletionssPuReMD/src/hydrogen_bonds.c
- sPuReMD/src/init_md.c 6 additions, 1 deletionsPuReMD/src/init_md.c
- sPuReMD/src/io_tools.c 6 additions, 3 deletionssPuReMD/src/io_tools.c
- sPuReMD/src/nonbonded.c 73 additions, 16 deletionssPuReMD/src/nonbonded.c
- sPuReMD/src/reax_types.h 9 additions, 2 deletionssPuReMD/src/reax_types.h
- sPuReMD/src/system_props.c 31 additions, 7 deletionssPuReMD/src/system_props.c
- sPuReMD/src/torsion_angles.c 28 additions, 9 deletionssPuReMD/src/torsion_angles.c
- sPuReMD/src/valence_angles.c 24 additions, 9 deletionssPuReMD/src/valence_angles.c
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