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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-19 04:22:32 +01:00
Commit Graph

8 Commits

Author SHA1 Message Date
eginer
22c99a0484 done some cleaning in the casscf and added a detailed example of Multi state CASSCF 2024-02-15 19:32:15 +01:00
eginer
fbb946d8f4 removed the systematic save of MOs in casscf 2024-02-15 16:46:05 +01:00
7690a8d654 Fix bug in casscf 2023-11-07 11:50:41 +01:00
eginer
d9b2298d9a improved casscf and added README.rst 2023-10-06 15:36:38 +02:00
eginer
1739ec4f4a added some mcscf fock printing 2023-10-06 14:50:17 +02:00
eginer
2b62bfc999 working on casscf_cipsi 2023-10-06 11:28:20 +02:00
eginer
8c4a7226cd minor changes 2023-07-10 11:32:06 +02:00
eginer
b2e44beb3e added casscf_cipsi 2023-06-18 21:42:40 +02:00