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b2_stretched.zmt
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Merge alors
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2019-10-24 13:56:53 +02:00 |
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be.xyz
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added basis correction and test
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2020-04-06 15:06:16 +02:00 |
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c2h2.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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ch2.xyz
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added test in fci_tc_bi_ortho
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2023-02-08 15:36:36 +01:00 |
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ch4.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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clf.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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clo.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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co2.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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cu_nh3_4_2plus.gms.out
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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dhno.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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f.xyz
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added basis correction and test
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2020-04-06 15:06:16 +02:00 |
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f2.zmt
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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h2_1.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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h2_3.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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h2o.log
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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h2o2.zmt
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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h2s.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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h3_2.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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h3_4.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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h3coh.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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h4_1.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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h4_3.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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h4_5.xyz
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Fixed singles when no beta exc
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2023-06-10 11:56:07 +02:00 |
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hbo.gms.out
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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hcn.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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hco.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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lif.xyz
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added basis correction and test
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2020-04-06 15:06:16 +02:00 |
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n2.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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n2_stretched.xyz
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removed generators bitmaks, and casscf with not continuous orbital windows is working
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2019-10-24 19:02:42 +02:00 |
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n2h4.zmt
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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nh3.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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o2_cas.gms.out
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added basis correction and test
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2020-04-06 15:06:16 +02:00 |
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oh.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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sih2_3b1.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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sih3.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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so.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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so2.xyz
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Initial commit
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2019-01-25 11:39:31 +01:00 |
Anthony Scemama
caa11f20ea