LCPQ/qp2
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1,683 Commits 29 Branches 18 Tags 75 MiB
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7 Commits

Author SHA1 Message Date
Anthony Scemama
f0ad63966a Fixes for numerical orbitals in qp_import
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2023-05-30 22:08:40 +02:00
Anthony Scemama
75891f14b7 Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Anthony Scemama
ff209ff451 Fixed OCaml 2019-12-02 23:53:10 +01:00
Anthony Scemama
46d61b4117 Added imaginary EZFIO arrays for one-e 2019-12-02 18:18:30 +01:00
Anthony Scemama
5efd47339a Checking number of electrons in MOs 2019-09-02 16:03:40 +02:00
Anthony Scemama
09eab3db06 Removed core 2019-03-13 15:49:57 +01:00
Anthony Scemama
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00