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quantum_package/plugins
History
Anthony Scemama 437df9439d
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk (#68) 
* corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk

* removed set_generators_bitmasks_as_holes_and_particles from dress_zmq

* removed dress_zmq dependency to MRCC_Utils
2018-03-20 13:11:53 +01:00
..
All_singles
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
analyze_wf
Bug in analyze_wf
2017-12-04 10:31:54 +01:00
Bk
Bk
2018-03-07 19:01:19 +01:00
CAS_SD_ZMQ
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
Casino
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
CID
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
CID_SC2_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID_selected
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
CIS
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
CISD
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
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
DavidsonDressed
Added Bk module
2018-03-05 17:04:26 +01:00
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
dress_zmq
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk (#68)
2018-03-20 13:11:53 +01:00
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
Removed aligns
2017-11-27 10:58:32 +01:00
FourIdx
Fixed Slater's Rules
2017-10-05 18:48:38 +02:00
Full_CI
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
Full_CI_ZMQ
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk (#68)
2018-03-20 13:11:53 +01:00
Full_CI_ZMQ_GPI2
Working on GPI2
2017-07-22 13:33:28 +02:00
Generators_CAS
Comment to clarify Selectors_CASSD
2018-02-28 16:12:46 +01:00
Generators_full
Fixed multi-state
2018-01-10 18:55:08 +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
Merge branch 'master' of github.com:scemama/quantum_package
2018-01-10 19:11:08 +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
Fixed dependencies in modules
2018-02-21 16:45:51 +01:00
MR_wf_analysis
Modifs Manus
2017-10-27 12:20:00 +02:00
mrcc_sto
Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory
2018-03-05 17:26:43 +01:00
MRCC_Utils
Added Bk module
2018-03-05 17:04:26 +01:00
mrcepa0
Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory
2018-03-05 17:26:43 +01:00
MRPT
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
MRPT_Utils
Added Bk module
2018-03-05 17:04:26 +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 dependencies in modules
2018-02-21 16:45:51 +01:00
Properties
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
Psiref_CAS
Fixed Travis
2018-02-27 19:13:31 +01:00
Psiref_Utils
Added Bk module
2018-03-05 17:04:26 +01:00
QMC
Moved DavidsonDressed in plugins
2018-02-19 15:14:17 +01:00
read_integral
Fixes #223
2018-01-13 18:15:12 +01:00
Selectors_CASSD
Comment to clarify Selectors_CASSD
2018-02-28 16:12:46 +01:00
Selectors_full
Removed output variables
2018-01-05 14:38:32 +00:00
Selectors_no_sorted
Fixed travis
2018-01-05 18:15:34 +01:00
Selectors_Utils
Removed output variables
2018-01-05 14:38:32 +00:00
shiftedbk
corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk (#68)
2018-03-20 13:11:53 +01:00
SingleRefMethod
Merged scemama-master
2017-04-20 19:18:16 +02:00
Symmetry
Fixed travis
2018-01-05 18:15:34 +01:00