9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-13 03:11:31 +02:00
qp2/tests/input
2020-04-06 15:06:16 +02:00
..
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
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
f2.zmt 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
h2o2.zmt Initial commit 2019-01-25 11:39:31 +01:00
h2o.log Initial commit 2019-01-25 11:39:31 +01:00
h2s.xyz Initial commit 2019-01-25 11:39:31 +01:00
h3coh.xyz Initial commit 2019-01-25 11:39:31 +01:00
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
so2.xyz Initial commit 2019-01-25 11:39:31 +01:00
so.xyz Initial commit 2019-01-25 11:39:31 +01:00