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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 with Dr. Giner
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2016-11-02 21:46:12 +01:00 |
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CAS_SD
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Updated FCI for S2 eig
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2016-11-10 14:42:41 +01:00 |
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CAS_SD_ZMQ
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threshold davidson = thres * 100
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2016-12-05 09:28:04 +01:00 |
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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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DFT_Utils
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Modifs of fobo-scf
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2016-07-16 16:09:50 +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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logical comparisons with .eqv.
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2016-11-14 19:33:17 +01:00 |
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Full_CI
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Moved threshold_perturbation_pt2
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2016-11-10 14:24:54 +01:00 |
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Full_CI_ZMQ
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threshold davidson = thres * 100
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2016-12-05 09:28:04 +01:00 |
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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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logical comparisons with .eqv.
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2016-11-14 19:33:17 +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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Converge MRCC to 1.e-6
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2016-11-17 23:28:37 +01:00 |
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mrcc_selected
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Accelerated MRSC2
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2016-11-30 21:20:36 +01:00 |
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MRCC_Utils
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Added missing file
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2016-12-02 13:24:58 +01:00 |
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mrcepa0
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Restored symmetrization
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2016-11-30 11:32:40 +01:00 |
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MRPT
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Cleaned MRPT
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2016-11-04 22:31:55 +01:00 |
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MRPT_Utils
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Moved MRPT_Utils
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2016-11-30 17:02:28 +01:00 |
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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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Moved threshold_perturbation_pt2
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2016-11-10 14:24:54 +01:00 |
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Properties
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Merge with Dr. Giner
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2016-11-02 21:46:12 +01:00 |
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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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Fixed mrcc_selected
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2016-11-29 17:54:10 +01:00 |
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Psiref_Utils
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Corrected bug for multi-state MRCC
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2016-11-15 10:32:57 +01:00 |
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QmcChem
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Fixed Pseudo and dummy atoms
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2016-11-29 16:43:36 +01:00 |
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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_CASSD
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Fixed selection slave
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2016-11-16 15:18:24 +01:00 |
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Selectors_full
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Introduced PT2 energy denomitator provider
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2016-11-11 23:07:58 +01:00 |
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Selectors_no_sorted
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Merge with Dr. Giner
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2016-11-02 21:46:12 +01:00 |
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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 |
