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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-21 20:52:18 +02:00
quantum_package/plugins
2015-11-27 09:03:03 +01:00
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Alavi Epic merge for the doc... 2015-07-16 15:44:51 +02:00
CAS_SD Added CAS+S 2015-11-25 11:49:42 +01:00
Casino Epic merge for the doc... 2015-07-16 15:44:51 +02:00
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 Shells in README 2015-11-08 21:37:50 +01:00
CISD_SC2_selected Shells in README 2015-11-08 21:37:50 +01:00
CISD_selected Shells in README 2015-11-08 21:37:50 +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 Added target_pt2_qmc 2015-10-19 17:28:08 +02:00
Full_CI Shells in README 2015-11-08 21:37:50 +01:00
Generators_CAS minilist primitive/tri par alpha en cours 2015-10-16 13:06:19 +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 Default level shift is 0.5 au 2015-11-27 09:03:03 +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 Added EZFIO.cfg of MP2 module 2015-11-25 10:36:10 +01:00
MRCC_CASSD Update readme 2015-11-08 21:02:55 +01:00
MRCC_Utils README 2015-11-25 03:05:49 +01:00
MRCC_Utils_new Changed psi_svd into psi_bilinear 2015-07-30 16:05:28 +02:00
Perturbation Merge eos:/users/p0510/caffarel/quantum_package 2015-11-25 18:08:40 +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 Print in QMC 2015-11-16 20:14:25 +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