| .. |
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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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Corrected bugs in CASSD
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2016-09-30 16:41:51 +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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Fixed tests
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2016-10-07 19:45:25 +02:00 |
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Full_CI
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Corrected diagonalize_CI
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2016-09-30 15:12:17 +02:00 |
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Full_CI_ZMQ
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The qp_run queue now pops from the back
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2016-10-18 13:38:45 +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 branch 'master' of https://github.com/LCPQ/quantum_package into LCPQ-master
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2016-03-14 17:49:10 +01:00 |
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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_Utils
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Small changes in MRCC
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2016-10-18 23:07:03 +02:00 |
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mrcepa0
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Small changes in MRCC
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2016-10-18 23:07:03 +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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Added dummy selection
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2016-09-28 21:14:35 +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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Add read_wf to overwrite_with_cas
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2016-10-11 09:44:28 +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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Fixed tests
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2016-10-07 19:45:25 +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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Fixed IRP bug
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2016-10-11 23:00:31 +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 |
