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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-04 13:13:57 +01:00
quantum_package/plugins
2016-01-05 01:38:35 +01:00
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Alavi Epic merge for the doc... 2015-07-16 15:44:51 +02:00
CAS_SD Natural orbitals using SVD 2015-12-08 13:24:43 +01:00
Casino Epic merge for the doc... 2015-07-16 15:44:51 +02:00
CASSCF optimized 2015-12-18 12:07:49 +01:00
CID Shells in README 2015-11-08 21:37:50 +01:00
CID_SC2_selected Epic merge for the doc... 2015-07-16 15:44:51 +02:00
CID_selected Epic merge for the doc... 2015-07-16 15:44:51 +02:00
CIS CISD save energy 2015-09-11 15:30:44 +02:00
CISD Downgraded ZeroMQ to 4.0.7 2015-12-04 20:02:35 +01:00
CISD_SC2_selected Shells in README 2015-11-08 21:37:50 +01:00
CISD_selected Renamed cisd_selection in cisd_selected 2016-01-02 21:59:03 +01:00
DDCI_selected Shells in README 2015-11-08 21:37:50 +01:00
DensityMatrix Fix README and graphiz 2015-07-16 10:40:57 +02:00
FCIdump Downgraded ZeroMQ to 4.0.7 2015-12-04 20:02:35 +01:00
Full_CI Downgraded ZeroMQ to 4.0.7 2015-12-04 20:02:35 +01:00
Generators_CAS CISD save energy 2015-09-11 15:30:44 +02:00
Generators_full Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
Generators_restart Fix README and graphiz 2015-07-16 10:40:57 +02:00
Hartree_Fock Changed default threshold for HF and davidson 2016-01-02 22:02:24 +01:00
loc_cele Shells in README 2015-11-08 21:37:50 +01:00
Molden Update readme 2015-11-08 21:02:55 +01:00
MP2 Fixed MP2 and MP2 wf 2016-01-02 21:45:28 +01:00
MRCC_CASSD Update readme 2015-11-08 21:02:55 +01:00
MRCC_Utils Improved tests 2016-01-05 01:04:52 +01:00
MRCC_Utils_new Changed psi_svd into psi_bilinear 2015-07-30 16:05:28 +02:00
Perturbation Merge branch 'microlist' of https://github.com/garniron/quantum_package into garniron-microlist 2016-01-05 01:38:35 +01:00
Properties Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
Psiref_CAS Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
Psiref_threshold Cleaned MRCC in MRCC_Utils 2015-07-13 18:00:38 +02:00
Psiref_Utils Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
QmcChem Downgraded ZeroMQ to 4.0.7 2015-12-04 20:02:35 +01:00
Selectors_full Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
Selectors_no_sorted Fix README and graphiz 2015-07-16 10:40:57 +02:00
SingleRefMethod Added target_pt2_qmc 2015-10-19 17:28:08 +02:00