qcsh

Provides a collection of quantum chemistry utility scripts.

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
b2plyp_extract.batch		b2plyp_extract.batch
bckup		bckup
chkabs		chkabs
chsuff		chsuff
cleanscr		cleanscr
dftd3.batch		dftd3.batch
dftd3_extract.batch		dftd3_extract.batch
fchkgztoxyz.batch		fchkgztoxyz.batch
gauss_get_rotc		gauss_get_rotc
gaussconv		gaussconv
gms		gms
gmsirc		gmsirc
molpro		molpro
mproirc		mproirc
mprop		mprop
mpros		mpros
nwclean		nwclean
polyrate		polyrate
rb3lyp_extract.batch		rb3lyp_extract.batch
rhf_extract.batch		rhf_extract.batch
rmbckup		rmbckup
runcfour		runcfour
rung09		rung09
rwb97xd_extract.batch		rwb97xd_extract.batch
uwb97xd_extract.batch		uwb97xd_extract.batch

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