LCPQ/quantum_package
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305 Commits 6 Branches 5 Tags 93 MiB
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4 Commits

Author SHA1 Message Date
Anthony Scemama
ff86d51c5f Hartree-Fock works well 2014-06-25 14:58:58 +02:00
Anthony Scemama
f3fc0fdb8a Natural orbitals implemented 2014-06-20 18:35:26 +02:00
Anthony Scemama
12c47364ca Better Hartree-Fock 2014-06-19 22:38:35 +02:00
Anthony Scemama
89a7e3a644 DIIS on the way... 2014-06-19 17:58:45 +02:00