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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 'master' into master
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2017-01-19 16:10:32 -06:00 |
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CAS_SD
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Merge pull request #176 from scemama/master
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2016-11-16 18:15:01 -06:00 |
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CAS_SD_ZMQ
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Update selection.irp.f
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2017-01-25 20:19:34 -06:00 |
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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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minor modifs in FOBOCI
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2017-03-20 16:21:00 +01:00 |
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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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debugging FOBOCI
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2017-03-16 21:21:27 +01:00 |
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FOBOCI
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minor modifs in FOBOCI
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2017-03-20 16:21:00 +01:00 |
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Full_CI
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Minor changes
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2017-03-20 17:27:23 +01:00 |
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Full_CI_ZMQ
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Update selection.irp.f
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2017-01-25 20:14:11 -06:00 |
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Generators_CAS
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Fixed the perturbation with psi_ref instead of psi_det
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2016-11-25 23:07:45 +01:00 |
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Generators_full
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Update documetation...
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2016-11-01 17:07:55 -05:00 |
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Generators_restart
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Update documetation...
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2016-11-01 17:07:55 -05:00 |
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Hartree_Fock
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Update documetation...
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2016-11-01 17:07:55 -05:00 |
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loc_cele
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debugging FOBOCI
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2017-03-16 21:21:27 +01:00 |
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Molden
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rm Molden/aos.irp.f
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2016-03-15 01:16:56 +01:00 |
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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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Minor changes
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2017-03-20 17:27:23 +01:00 |
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mrcepa0
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merged files
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2017-03-20 16:34:57 +01:00 |
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MRPT
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Minor changes
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2017-03-20 17:27:23 +01:00 |
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MRPT_Utils
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Minor changes
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2017-03-20 17:27:23 +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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merged files
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2017-03-20 16:34:57 +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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merged files
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2017-03-20 16:34:57 +01:00 |
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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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Merge pull request #176 from scemama/master
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2016-11-16 18:15:01 -06:00 |
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QmcChem
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Minor changes
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2016-12-09 15:52:55 +01:00 |
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qmcpack
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Update qp_convert_qmcpack_to_ezfio.py
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2016-11-04 16:00:47 -05:00 |
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SCF_density
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Added SCF_density
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2017-03-16 21:21:45 +01:00 |
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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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Merge pull request #176 from scemama/master
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2016-11-16 18:15:01 -06:00 |
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Selectors_no_sorted
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Merge pull request #176 from scemama/master
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2016-11-16 18:15:01 -06:00 |
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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 |
