LCPQ/qp2
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Code Releases Activity
2,177 Commits 32 Branches 18 Tags 75 MiB
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8 Commits

Author SHA1 Message Date
Anthony Scemama
5fb6ed0180 Added JSON in FCI 2023-04-24 00:50:07 +02:00
Anthony Scemama
94662d3da0 Introduced JSON 2023-04-21 15:11:50 +02:00
Anthony Scemama
e12f13598a Fixed HCore guess with spherical MOs
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2023-02-15 16:26:33 +01:00
Anthony Scemama
18e0818e9d Fixed tests 2020-11-11 16:54:41 +01:00
Anthony Scemama
7c100a1a2d Symmetry 2020-11-11 15:51:19 +01:00
Anthony Scemama
6b2020d40d Orthogonalize MOs 2020-11-11 10:26:36 +01:00
Anthony Scemama
6c930b70f5 Added restoration of symmetry 2020-11-11 01:12:52 +01:00
Anthony Scemama
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00