GitHub - tzyii/qm-scripts: Some scripts for simulations.

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
ORCA_ipfitting.py		ORCA_ipfitting.py
cry2cif.py		cry2cif.py
cryproperties.py		cryproperties.py
daemon		daemon
delpage.py		delpage.py
dimerDist.py		dimerDist.py
fchk		fchk
fdensity		fdensity
gaudos.py		gaudos.py
gaussian.py		gaussian.py
gencube		gencube
getesp		getesp
log2xyz		log2xyz
pcm_ipfitting.py		pcm_ipfitting.py
reorganization.sh		reorganization.sh
rotate.py		rotate.py
runPsi4		runPsi4
rung09		rung09
rung16		rung16
seekqchem		seekqchem
vaspband.py		vaspband.py
vasppdos		vasppdos
vasptdos		vasptdos
xsd2cry.py		xsd2cry.py
xsd2vasp.py		xsd2vasp.py