LCPQ/quantum_package
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1,393 Commits 6 Branches 5 Tags 93 MiB
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5 Commits

Author SHA1 Message Date
Anthony Scemama
b6d8531583 Accelerated S^2 2015-07-14 01:06:28 +02:00
Thomas Applencourt
e0f360084e QPACKAGE_ROOT => QP_ROOT =D 2015-06-08 14:49:10 +02:00
Anthony Scemama
3515cf953b Better estimated PT2 2015-03-16 18:30:38 +01:00
Anthony Scemama
3529950720 qp_set_frozen_core.py accepts 0 core MOs 2015-02-23 14:26:07 +01:00
Anthony Scemama
62bdc4948a Added qp_set_frozen_core.py 2015-01-23 17:32:31 +01:00