LCPQ/quantum_package
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1,173 Commits 6 Branches 5 Tags 93 MiB
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5 Commits

Author SHA1 Message Date
Anthony Scemama
ad4dc469cc SCF works with non-square matrices 2015-11-27 11:48:12 +01:00
Anthony Scemama
62a8253244 Introduced Schwartz screening in map_get 2015-11-16 22:08:36 +01:00
Anthony Scemama
0c84015982 Added level shift in Hartree-Fock 2015-11-16 19:00:49 +01:00
Anthony Scemama
8b8946f1e3 OpenMP reduction bug for large systems solved 2015-09-22 13:05:42 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00