Name		Name	Last commit message	Last commit date
Latest commit History 88 Commits
EntropyyCorrection		EntropyyCorrection
M-GSM-postCalcScripts		M-GSM-postCalcScripts
OptimizationScripts		OptimizationScripts
PBS Scripts		PBS Scripts
QM_MM_scripts		QM_MM_scripts
SLURM Scripts		SLURM Scripts
SterimolwXYZ		SterimolwXYZ
ZyBel		ZyBel
.gitignore		.gitignore
CHARMMPDB		CHARMMPDB
Dipole Moment		Dipole Moment
Energy Difference		Energy Difference
FixedXYZ		FixedXYZ
GeometryCompare		GeometryCompare
GetLastCoordinate		GetLastCoordinate
GetLastORCACoordinate		GetLastORCACoordinate
MakeMovie		MakeMovie
MoveNiPP		MoveNiPP
Optimization Energies		Optimization Energies
Orbital Energies		Orbital Energies
README.md		README.md
RemoveQ		RemoveQ
TSImaginaries		TSImaginaries
getBondInfo		getBondInfo
getBondInfoAll		getBondInfoAll
getMixedBasis		getMixedBasis
kill_orphan_vscode.sh		kill_orphan_vscode.sh