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Alavi
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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All_singles
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Merge branch 'LCPQ-master'
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2016-09-22 12:19:43 +02:00 |
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CAS_SD
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Minor changes
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2016-09-28 00:20:26 +02:00 |
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Casino
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
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CASSCF
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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CID
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
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CID_SC2_selected
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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CID_selected
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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CIS
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
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CISD
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
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CISD_SC2_selected
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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CISD_selected
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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DDCI_selected
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
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DensityMatrix
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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Dressed_Ref_Hamiltonian
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Added OVB_effective_Hamiltonian
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2016-02-17 12:22:45 +01:00 |
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FCIdump
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
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FOBOCI
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Improved diagonalization
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2016-09-23 14:23:03 +02:00 |
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Full_CI
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Include S^2 inside davidson
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2016-09-27 15:55:38 +02:00 |
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Full_CI_ZMQ
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cleaning + microlisted splash_pq
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2016-10-04 15:08:13 +02:00 |
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Generators_CAS
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--amend
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2016-09-22 12:15:20 +02:00 |
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Generators_full
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FIxed Davidson
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2016-09-25 22:14:17 +02:00 |
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Generators_restart
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--amend
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2016-09-22 12:15:20 +02:00 |
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Hartree_Fock
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Merge branch 'LCPQ-master'
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2016-09-22 12:19:43 +02:00 |
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loc_cele
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merge with LCPQ
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2016-07-06 16:15:47 +02:00 |
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Molden
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merge with LCPQ
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2016-07-06 16:15:47 +02:00 |
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MP2
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Fixed MP2 and MP2 wf
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2016-01-02 21:45:28 +01:00 |
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MRCC_CASSD
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--amend
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2016-09-22 12:15:20 +02:00 |
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MRCC_Utils
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Minor changes
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2016-09-28 00:20:26 +02:00 |
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mrcepa0
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Improved diagonalization
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2016-09-23 14:23:03 +02:00 |
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Orbital_Entanglement
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Added the Orbital Entanglement plugin, added the list of active orbitals in bitmasks.irp.f.
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2016-02-12 12:27:13 +01:00 |
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OVB
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added print_hcc and OVB plugin
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2016-02-17 10:52:57 +01:00 |
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OVB_effective_Hamiltonian
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Added OVB_effective_Hamiltonian
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2016-02-17 12:22:45 +01:00 |
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Perturbation
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Normalize in input of Davidson
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2016-09-26 20:34:16 +02:00 |
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Properties
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--amend
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2016-09-22 12:15:20 +02:00 |
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Psiref_CAS
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Merge branch 'LCPQ-master'
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2016-09-22 12:19:43 +02:00 |
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Psiref_threshold
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Cleaned MRCC in MRCC_Utils
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2015-07-13 18:00:38 +02:00 |
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Psiref_Utils
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--amend
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2016-09-22 12:15:20 +02:00 |
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QmcChem
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Improved diagonalization
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2016-09-23 14:23:03 +02:00 |
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qmcpack
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merge with LCPQ
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2016-07-06 16:15:47 +02:00 |
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Selectors_full
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N_det_generators <= N_det_selectors
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2016-09-27 09:28:34 +02:00 |
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Selectors_no_sorted
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--amend
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2016-09-22 12:15:20 +02:00 |
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SingleRefMethod
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
