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quantum_package/plugins
History
Emmanuel Giner edd9add59f fixed bug in FOBOSCF
2019-06-28 00:16:47 +02:00
..
All_singles
Fixed EZFIO
2019-02-05 21:59:26 +01:00
analyze_wf
Bug in analyze_wf
2017-12-04 10:31:54 +01:00
CAS_SD_ZMQ
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Casino
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID_SC2_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CIS
Removed output variables
2018-01-05 14:38:32 +00:00
CISD
FOBOCI compiles
2019-06-27 23:38:05 +02:00
CISD_SC2_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CISD_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
DensityMatrix
Removed aligns
2017-11-27 10:58:32 +01:00
DFT_Utils
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Dressed_Ref_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
FCIdump
Merged scemama-master
2017-04-20 19:18:16 +02:00
FOBOCI
fixed bug in FOBOSCF
2019-06-28 00:16:47 +02:00
FourIdx
Fixed Slater's Rules
2017-10-05 18:48:38 +02:00
Full_CI
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Full_CI_ZMQ
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Full_CI_ZMQ_GPI2
Working on GPI2
2017-07-22 13:33:28 +02:00
Generators_CAS
Fixed travis
2018-01-05 18:15:34 +01:00
Generators_full
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Generators_restart
Fixed travis
2018-01-05 18:15:34 +01:00
GPI2
Fixes #223
2018-01-12 21:42:37 +01:00
Hartree_Fock
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Hartree_Fock_SlaterDressed
Removed aligns
2017-11-27 10:58:32 +01:00
loc_cele
Modifs Manus
2017-10-27 12:20:00 +02:00
Molden
Merged scemama-master
2017-04-20 19:18:16 +02:00
MP2
Removed parallelism in old selection
2017-12-08 10:48:09 +01:00
MR_wf_analysis
Modifs Manus
2017-10-27 12:20:00 +02:00
MRCC_Utils
Fixed EZFIO
2019-02-05 21:59:26 +01:00
mrcepa0
Fixed EZFIO
2019-02-05 21:59:26 +01:00
MRPT
Fixed AOs to MOs
2017-09-11 23:48:52 +02:00
MRPT_Utils
Fixed EZFIO
2019-02-05 21:59:26 +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
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Properties
fixed bug in FOBOSCF
2019-06-28 00:16:47 +02:00
Psiref_CAS
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Psiref_Utils
Fixed EZFIO
2019-02-05 21:59:26 +01:00
QMC
Update qp_convert_qmcpack_to_ezfio.py
2018-06-14 15:29:52 -05:00
read_integral
Fixes #223 (#226)
2018-01-13 18:43:34 +01:00
Selectors_CASSD
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Selectors_full
FOBOCI compiles
2019-06-27 23:38:05 +02:00
Selectors_no_sorted
Fixed EZFIO
2019-02-05 21:59:26 +01:00
Selectors_Utils
Fixed EZFIO
2019-02-05 21:59:26 +01:00
SingleRefMethod
FOBOCI compiles
2019-06-27 23:38:05 +02:00
Symmetry
Fixed travis
2018-01-05 18:15:34 +01:00