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quantum_package/plugins
History
Anthony Scemama c2ccbad730 Repaired broken tests
2016-10-06 17:00:20 +02:00
..
Alavi
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
All_singles
Merge branch 'LCPQ-master'
2016-09-22 12:19:43 +02:00
CAS_SD
Corrected bugs in CASSD
2016-09-30 16:41:51 +02:00
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
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
Improved diagonalization
2016-09-23 14:23:03 +02:00
Full_CI
Corrected diagonalize_CI
2016-09-30 15:12:17 +02:00
Full_CI_ZMQ
need to touch dav_size before filling dav_det for ifort
2016-10-05 11:27:35 +02:00
Generators_CAS
--amend
2016-09-22 12:15:20 +02:00
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
Merge branch 'master' of https://github.com/LCPQ/quantum_package into LCPQ-master
2016-03-14 17:49:10 +01:00
Molden
merge with LCPQ
2016-07-06 16:15:47 +02:00
MP2
Fixed MP2 and MP2 wf
2016-01-02 21:45:28 +01:00
MRCC_CASSD
Repaired broken tests
2016-10-06 17:00:20 +02:00
MRCC_Utils
Added qp_create_guess
2016-10-06 00:36:05 +02:00
mrcepa0
Improved diagonalization
2016-09-23 14:23:03 +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
OVB_effective_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
Perturbation
Added dummy selection
2016-09-28 21:14:35 +02:00
Properties
--amend
2016-09-22 12:15:20 +02:00
Psiref_CAS
Merge branch 'LCPQ-master'
2016-09-22 12:19:43 +02:00
Psiref_threshold
Cleaned MRCC in MRCC_Utils
2015-07-13 18:00:38 +02:00
Psiref_Utils
--amend
2016-09-22 12:15:20 +02:00
QmcChem
Improved diagonalization
2016-09-23 14:23:03 +02:00
qmcpack
merge with LCPQ
2016-07-06 16:15:47 +02:00
Selectors_full
Fixed assert:BANDON
2016-10-02 23:12:17 +02:00
Selectors_no_sorted
--amend
2016-09-22 12:15:20 +02:00
SingleRefMethod
Added target_pt2_qmc
2015-10-19 17:28:08 +02:00