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quantum_package/plugins
History
Emmanuel Giner de209b3fa8 pouet
2017-02-03 11:51:22 +01:00
..
Alavi
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
All_singles
Merge with Dr. Giner
2016-11-02 21:46:12 +01:00
CAS_SD
Updated FCI for S2 eig
2016-11-10 14:42:41 +01:00
CAS_SD_ZMQ
Resized array energy
2016-11-16 21:28:10 +01:00
Casino
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CASSCF
Distributed PT2
2016-02-19 00:20:28 +01:00
CID
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CID_SC2_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
CID_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
CIS
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CISD
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CISD_SC2_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
CISD_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
DDCI_selected
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
DensityMatrix
Fix README and graphiz
2015-07-16 10:40:57 +02:00
DFT_Utils
Modifs of fobo-scf
2016-07-16 16:09:50 +02:00
Dressed_Ref_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
FCIdump
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
FOBOCI
logical comparisons with .eqv.
2016-11-14 19:33:17 +01:00
Full_CI
Trying do really fo sin free multiple excitations
2016-11-28 14:51:12 +01:00
Full_CI_ZMQ
Accelerated selection
2016-11-22 13:03:23 +01:00
Generators_CAS
Fixed the perturbation with psi_ref instead of psi_det
2016-11-25 23:07:45 +01:00
Generators_full
FIxed Davidson
2016-09-25 22:14:17 +02:00
Generators_restart
--amend
2016-09-22 12:15:20 +02:00
Hartree_Fock
Merge branch 'LCPQ-master'
2016-09-22 12:19:43 +02:00
loc_cele
pouet
2017-02-03 11:51:22 +01:00
Molden
merge with LCPQ
2016-07-06 16:15:47 +02:00
MP2
Converge MRCC to 1.e-6
2016-11-17 23:28:37 +01:00
MRCC_Utils
Beginning to merge MRCC and MRPT
2016-11-29 16:48:24 +01:00
mrcepa0
Fixed the perturbation with psi_ref instead of psi_det
2016-11-25 23:07:45 +01:00
MRPT
pouet
2017-02-03 11:51:22 +01:00
MRPT_Utils
pouet
2017-02-03 11:51:22 +01:00
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
OVB_effective_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
Perturbation
Trying do really fo sin free multiple excitations
2016-11-28 14:51:12 +01:00
Properties
Merge with Dr. Giner
2016-11-02 21:46:12 +01:00
Psiref_CAS
pouet
2017-02-03 11:51:22 +01:00
Psiref_threshold
Cleaned MRCC in MRCC_Utils
2015-07-13 18:00:38 +02:00
Psiref_Utils
Corrected bug for multi-state MRCC
2016-11-15 10:32:57 +01:00
QmcChem
Fixed tests
2016-10-07 19:45:25 +02:00
qmcpack
merge with LCPQ
2016-07-06 16:15:47 +02:00
Selectors_CASSD
Fixed selection slave
2016-11-16 15:18:24 +01:00
Selectors_full
Introduced PT2 energy denomitator provider
2016-11-11 23:07:58 +01:00
Selectors_no_sorted
Merge with Dr. Giner
2016-11-02 21:46:12 +01:00
SingleRefMethod
Added target_pt2_qmc
2015-10-19 17:28:08 +02:00