LCPQ/quantum_package
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1,335 Commits 6 Branches 5 Tags 93 MiB
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4 Commits

Author SHA1 Message Date
Anthony Scemama
647d4ad6de Corrected bug with sperical guess 2016-02-04 23:33:40 +01:00
Anthony Scemama
6e6a8ac82a Corrected bug in spherical guess MOs 2016-02-04 10:56:39 +01:00
Anthony Scemama
8a566b1e63 Implemented Spherical AOs 2016-01-27 00:19:08 +01:00
Anthony Scemama
53ba951186 Added canonical orthogonalization and accelerated Tasks 2015-12-09 18:53:38 +01:00