LCPQ/quantum_package
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139 Commits 6 Branches 5 Tags 93 MiB
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5 Commits

Author SHA1 Message Date
Anthony Scemama
33e8f41268 Save wavefunction 2014-06-07 22:07:50 +02:00
Anthony Scemama
c4cfc0b3d6 Corrected bitmask bug for Multi-reference 2014-06-03 19:14:12 +02:00
Anthony Scemama
a451a89e5a Accelerated selection using dichotomy 2014-06-02 15:18:45 +02:00
Manu
868ef807bd CISD_SC2 ok, CISD_SC2_selected ok 2014-05-30 18:07:04 +02:00
Anthony Scemama
9897ba6c19 CISD selection + MP2 clean 2014-05-27 17:30:44 +02:00