LCPQ/quantum_package
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1,330 Commits 6 Branches 5 Tags 93 MiB
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3 Commits

Author SHA1 Message Date
Anthony Scemama
53ba951186 Added canonical orthogonalization and accelerated Tasks 2015-12-09 18:53:38 +01:00
Anthony Scemama
695df46a77 Accelerated H_core guess O(N4) -> O(N3) 2015-03-20 09:03:50 +01:00
Anthony Scemama
cd418ee484 Added Bi-electronic integrals module 2014-04-17 23:50:51 +02:00