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quantum_package/plugins
History
Emmanuel Giner 27a121bc1b added print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
..
Alavi
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
All_singles
added tests for all_1h_1p
2016-02-16 12:34:04 +01:00
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
Added the diagonalize_s2 option
2016-02-16 17:43:26 +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
added print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
loc_cele
Shells in README
2015-11-08 21:37:50 +01:00
Molden
Implemented Spherical AOs
2016-01-27 00:19:08 +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
Introduced MR-CEPA. Not working yet
2016-01-28 14:50:24 +01:00
MRCC_Utils_new
Changed psi_svd into psi_bilinear
2015-07-30 16:05:28 +02:00
Orbital_Entanglement
Added the Orbital Entanglement plugin, added the list of active orbitals in bitmasks.irp.f.
2016-02-12 12:27:13 +01:00
OVB
added print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
Perturbation
Merge branch 'microlist' of https://github.com/garniron/quantum_package into garniron-microlist
2016-01-05 01:38:35 +01:00
Properties
added print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
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 print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
QmcChem
Downgraded ZeroMQ to 4.0.7
2015-12-04 20:02:35 +01:00
qmcpack
qp -> qmcpack support now more than 64 MO for the det representation
2016-02-08 14:39:23 +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