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QuantumPackage/tests/input
2023-06-10 11:56:07 +02:00
..
b2_stretched.zmt
be.xyz
c2h2.xyz
ch2.xyz added test in fci_tc_bi_ortho 2023-02-08 15:36:36 +01:00
ch4.xyz
clf.xyz
clo.xyz
co2.xyz
cu_nh3_4_2plus.gms.out
dhno.xyz
f2.zmt Initial commit 2019-01-25 11:39:31 +01:00
f.xyz
h2_1.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
h2_3.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
h2o2.zmt Initial commit 2019-01-25 11:39:31 +01:00
h2o.log
h2s.xyz
h3_2.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
h3_4.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
h3coh.xyz Initial commit 2019-01-25 11:39:31 +01:00
h4_1.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
h4_3.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
h4_5.xyz Fixed singles when no beta exc 2023-06-10 11:56:07 +02:00
hbo.gms.out
hcn.xyz
hco.xyz
lif.xyz
n2_stretched.xyz
n2.xyz
n2h4.zmt
nh3.xyz
o2_cas.gms.out added basis correction and test 2020-04-06 15:06:16 +02:00
oh.xyz
sih2_3b1.xyz
sih3.xyz
so2.xyz
so.xyz