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qp2/tests/input
Anthony Scemama caa11f20ea
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Fixed singles when no beta exc
2023-06-10 11:56:07 +02:00
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b2_stretched.zmt Merge alors 2019-10-24 13:56:53 +02:00
be.xyz added basis correction and test 2020-04-06 15:06:16 +02:00
c2h2.xyz Initial commit 2019-01-25 11:39:31 +01:00
ch2.xyz added test in fci_tc_bi_ortho 2023-02-08 15:36:36 +01:00
ch4.xyz Initial commit 2019-01-25 11:39:31 +01:00
clf.xyz Initial commit 2019-01-25 11:39:31 +01:00
clo.xyz Initial commit 2019-01-25 11:39:31 +01:00
co2.xyz Initial commit 2019-01-25 11:39:31 +01:00
cu_nh3_4_2plus.gms.out Initial commit 2019-01-25 11:39:31 +01:00
dhno.xyz Initial commit 2019-01-25 11:39:31 +01:00
f.xyz added basis correction and test 2020-04-06 15:06:16 +02:00
f2.zmt Initial commit 2019-01-25 11:39:31 +01:00
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
h2o.log Initial commit 2019-01-25 11:39:31 +01:00
h2o2.zmt Initial commit 2019-01-25 11:39:31 +01:00
h2s.xyz Initial commit 2019-01-25 11:39:31 +01:00
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 Initial commit 2019-01-25 11:39:31 +01:00
hcn.xyz Initial commit 2019-01-25 11:39:31 +01:00
hco.xyz Initial commit 2019-01-25 11:39:31 +01:00
lif.xyz added basis correction and test 2020-04-06 15:06:16 +02:00
n2_stretched.xyz removed generators bitmaks, and casscf with not continuous orbital windows is working 2019-10-24 19:02:42 +02:00
n2.xyz Initial commit 2019-01-25 11:39:31 +01:00
n2h4.zmt Initial commit 2019-01-25 11:39:31 +01:00
nh3.xyz Initial commit 2019-01-25 11:39:31 +01:00
o2_cas.gms.out added basis correction and test 2020-04-06 15:06:16 +02:00
oh.xyz Initial commit 2019-01-25 11:39:31 +01:00
sih2_3b1.xyz Initial commit 2019-01-25 11:39:31 +01:00
sih3.xyz Initial commit 2019-01-25 11:39:31 +01:00
so.xyz Initial commit 2019-01-25 11:39:31 +01:00
so2.xyz Initial commit 2019-01-25 11:39:31 +01:00