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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
quantum_package/plugins
2016-09-23 16:16:48 +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 Merge branch 'LCPQ-master' 2016-09-22 12:19:43 +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 Merge branch 'LCPQ-master' 2016-09-22 12:19:43 +02:00
Full_CI_ZMQ Working on davidson 2016-09-23 16:16:48 +02:00
Generators_CAS --amend 2016-09-22 12:15:20 +02:00
Generators_full --amend 2016-09-22 12:15:20 +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 with LCPQ 2016-07-06 16:15:47 +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_CASSD --amend 2016-09-22 12:15:20 +02:00
MRCC_Utils Improved diagonalization 2016-09-23 14:23:03 +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 Merge branch 'LCPQ-master' 2016-09-22 12:19:43 +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 Merge branch 'LCPQ-master' 2016-09-22 12:19:43 +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