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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
quantum_package/plugins
2016-11-04 16:00:47 -05:00
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Alavi Epic merge for the doc... 2015-07-16 15:44:51 +02:00
All_singles Update documetation... 2016-11-01 17:07:55 -05:00
CAS_SD Update documetation... 2016-11-01 17:07:55 -05:00
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 Fixed tests 2016-10-07 19:45:25 +02:00
Full_CI Update documetation... 2016-11-01 17:07:55 -05:00
Full_CI_ZMQ Update documetation... 2016-11-01 17:07:55 -05:00
Generators_CAS --amend 2016-09-22 12:15:20 +02:00
Generators_full Update documetation... 2016-11-01 17:07:55 -05:00
Generators_restart Update documetation... 2016-11-01 17:07:55 -05:00
Hartree_Fock Update documetation... 2016-11-01 17:07:55 -05:00
loc_cele Format error in loc_cele 2016-10-18 23:10:04 +02:00
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_Utils Update documetation... 2016-11-01 17:07:55 -05:00
mrcepa0 Update documetation... 2016-11-01 17:07:55 -05:00
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 Update documetation... 2016-11-01 17:07:55 -05:00
Properties --amend 2016-09-22 12:15:20 +02:00
Psiref_CAS Update documetation... 2016-11-01 17:07:55 -05:00
Psiref_threshold Cleaned MRCC in MRCC_Utils 2015-07-13 18:00:38 +02:00
Psiref_Utils Update documetation... 2016-11-01 17:07:55 -05:00
QmcChem Fixed tests 2016-10-07 19:45:25 +02:00
qmcpack Update qp_convert_qmcpack_to_ezfio.py 2016-11-04 16:00:47 -05:00
Selectors_full Update documetation... 2016-11-01 17:07:55 -05:00
Selectors_no_sorted Update documetation... 2016-11-01 17:07:55 -05:00
SingleRefMethod Added target_pt2_qmc 2015-10-19 17:28:08 +02:00