LCPQ
/
quack
mirror of https://github.com/pfloos/quack
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quack/mol
History
Pierre-Francois Loos e793ceaeca BCCD start 2021-01-05 15:51:52 +01:00
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Ar.xyz xyz files 2020-10-12 14:30:00 +02:00
B.xyz xyz files 2020-10-12 14:30:00 +02:00
Be.xyz xyz files 2020-10-12 14:30:00 +02:00
C.xyz xyz files 2020-10-12 14:30:00 +02:00
F.xyz xyz files 2020-10-12 14:30:00 +02:00
H.xyz xyz files 2020-10-12 14:30:00 +02:00
He.xyz xyz files 2020-10-12 14:30:00 +02:00
Li.xyz xyz files 2020-10-12 14:30:00 +02:00
N.xyz xyz files 2020-10-12 14:30:00 +02:00
Ne.xyz xyz files 2020-10-12 14:30:00 +02:00
O.xyz xyz files 2020-10-12 14:30:00 +02:00
Xe.xyz xyz files 2020-10-12 14:30:00 +02:00
acetaldehyde.xyz xyz files 2020-10-12 14:30:00 +02:00
acetone.xyz xyz files 2020-10-12 14:30:00 +02:00
acetylene.xyz xyz files 2020-10-12 14:30:00 +02:00
acrolein.xyz xyz files 2020-10-12 14:30:00 +02:00
allyl.xyz xyz files 2020-10-12 14:30:00 +02:00
ammonia.xyz xyz files 2020-10-12 14:30:00 +02:00
aza-naphthalene.xyz xyz files 2020-10-12 14:30:00 +02:00
bef.xyz xyz files 2020-10-12 14:30:00 +02:00
beh.xyz xyz files 2020-10-12 14:30:00 +02:00
benzene.xyz xyz files 2020-10-12 14:30:00 +02:00
benzoquinone.xyz xyz files 2020-10-12 14:30:00 +02:00
beryllium.xyz xyz files 2020-10-12 14:30:00 +02:00
bh2.xyz xyz files 2020-10-12 14:30:00 +02:00
butadiene.xyz xyz files 2020-10-12 14:30:00 +02:00
carbon_dimer.xyz clean up basis sets 2020-10-26 14:52:11 +01:00
carbon_monoxide.xyz xyz files 2020-10-12 14:30:00 +02:00
carbon_trimer.xyz xyz files 2020-10-12 14:30:00 +02:00
carbonylfluoride.xyz xyz files 2020-10-12 14:30:00 +02:00
ccl2.xyz xyz files 2020-10-12 14:30:00 +02:00
cclf.xyz xyz files 2020-10-12 14:30:00 +02:00
cf2.xyz xyz files 2020-10-12 14:30:00 +02:00
ch.xyz working on qsUGW 2020-10-21 12:09:18 +02:00
ch3.xyz xyz files 2020-10-12 14:30:00 +02:00
cn.xyz xyz files 2020-10-12 14:30:00 +02:00
cno.xyz xyz files 2020-10-12 14:30:00 +02:00
co+.xyz xyz files 2020-10-12 14:30:00 +02:00
con.xyz xyz files 2020-10-12 14:30:00 +02:00
cyanoacetylene.xyz xyz files 2020-10-12 14:30:00 +02:00
cyanoformaldehyde.xyz xyz files 2020-10-12 14:30:00 +02:00
cyanogen.xyz xyz files 2020-10-12 14:30:00 +02:00
cyclopentadiene.xyz xyz files 2020-10-12 14:30:00 +02:00
cyclopentadienethione.xyz xyz files 2020-10-12 14:30:00 +02:00
cyclopentadienone.xyz xyz files 2020-10-12 14:30:00 +02:00
cyclopropene.xyz xyz files 2020-10-12 14:30:00 +02:00
cyclopropenethione.xyz xyz files 2020-10-12 14:30:00 +02:00
cyclopropenone.xyz xyz files 2020-10-12 14:30:00 +02:00
diacetylene.xyz xyz files 2020-10-12 14:30:00 +02:00
diazirine.xyz xyz files 2020-10-12 14:30:00 +02:00
diazomethane.xyz xyz files 2020-10-12 14:30:00 +02:00
difluorodiazirine.xyz xyz files 2020-10-12 14:30:00 +02:00
dinitrogen.xyz xyz files 2020-10-12 14:30:00 +02:00
ethylene.xyz xyz files 2020-10-12 14:30:00 +02:00
f2bo.xyz xyz files 2020-10-12 14:30:00 +02:00
f2bs.xyz xyz files 2020-10-12 14:30:00 +02:00
formaldehyde.xyz xyz files 2020-10-12 14:30:00 +02:00
formamide.xyz xyz files 2020-10-12 14:30:00 +02:00
formylfluoride.xyz xyz files 2020-10-12 14:30:00 +02:00
furan.xyz bug fix in qsUGW 2020-11-03 21:47:57 +01:00
glyoxal.xyz xyz files 2020-10-12 14:30:00 +02:00
h2.xyz BCCD start 2021-01-05 15:51:52 +01:00
h2bo.xyz xyz files 2020-10-12 14:30:00 +02:00
h2po.xyz xyz files 2020-10-12 14:30:00 +02:00
h2ps.xyz xyz files 2020-10-12 14:30:00 +02:00
hccl.xyz xyz files 2020-10-12 14:30:00 +02:00
hcf.xyz xyz files 2020-10-12 14:30:00 +02:00
hco.xyz xyz files 2020-10-12 14:30:00 +02:00
hcp.xyz xyz files 2020-10-12 14:30:00 +02:00
hexatriene.xyz xyz files 2020-10-12 14:30:00 +02:00
hoc.xyz xyz files 2020-10-12 14:30:00 +02:00
hpo.xyz xyz files 2020-10-12 14:30:00 +02:00
hps.xyz xyz files 2020-10-12 14:30:00 +02:00
hsif.xyz xyz files 2020-10-12 14:30:00 +02:00
hydrogen_chloride.xyz xyz files 2020-10-12 14:30:00 +02:00
hydrogen_sulfide.xyz xyz files 2020-10-12 14:30:00 +02:00
imidazole.xyz xyz files 2020-10-12 14:30:00 +02:00
isobutene.xyz xyz files 2020-10-12 14:30:00 +02:00
ketene.xyz xyz files 2020-10-12 14:30:00 +02:00
maleimide.xyz xyz files 2020-10-12 14:30:00 +02:00
methanimine.xyz xyz files 2020-10-12 14:30:00 +02:00
methylenecyclopropene.xyz xyz files 2020-10-12 14:30:00 +02:00
naphthalene.xyz xyz files 2020-10-12 14:30:00 +02:00
nco.xyz xyz files 2020-10-12 14:30:00 +02:00
nh2.xyz xyz files 2020-10-12 14:30:00 +02:00
nitromethyl.xyz xyz files 2020-10-12 14:30:00 +02:00
nitrosomethane.xyz xyz files 2020-10-12 14:30:00 +02:00
nitroxyl.xyz clean up basis sets 2020-10-26 14:52:11 +01:00
no.xyz xyz files 2020-10-12 14:30:00 +02:00
oh.xyz xyz files 2020-10-12 14:30:00 +02:00
ph2.xyz xyz files 2020-10-12 14:30:00 +02:00
propynal.xyz xyz files 2020-10-12 14:30:00 +02:00
pyrazine.xyz xyz files 2020-10-12 14:30:00 +02:00
pyridazine.xyz xyz files 2020-10-12 14:30:00 +02:00
pyridine.xyz xyz files 2020-10-12 14:30:00 +02:00
pyrimidine.xyz xyz files 2020-10-12 14:30:00 +02:00
pyrrole.xyz xyz files 2020-10-12 14:30:00 +02:00
sicl2.xyz xyz files 2020-10-12 14:30:00 +02:00
silylidene.xyz xyz files 2020-10-12 14:30:00 +02:00
streptocyanine-c1.xyz xyz files 2020-10-12 14:30:00 +02:00
streptocyanine-c3.xyz xyz files 2020-10-12 14:30:00 +02:00
streptocyanine-c5.xyz xyz files 2020-10-12 14:30:00 +02:00
tetrazine.xyz xyz files 2020-10-12 14:30:00 +02:00
thioacetone.xyz xyz files 2020-10-12 14:30:00 +02:00
thioacrolein.xyz xyz files 2020-10-12 14:30:00 +02:00
thioformaldehyde.xyz xyz files 2020-10-12 14:30:00 +02:00
thiophene.xyz xyz files 2020-10-12 14:30:00 +02:00
thiopropynal.xyz xyz files 2020-10-12 14:30:00 +02:00
triazine.xyz xyz files 2020-10-12 14:30:00 +02:00
vinyl.xyz xyz files 2020-10-12 14:30:00 +02:00
water.xyz xyz files 2020-10-12 14:30:00 +02:00