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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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Modifs of fobo-scf
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2016-07-16 16:09:50 +02:00 |
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CAS_SD
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Merged with LCPQ
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2016-03-14 16:12:25 +01:00 |
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Casino
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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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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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Shells in README
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2015-11-08 21:37:50 +01:00 |
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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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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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CISD
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Downgraded ZeroMQ to 4.0.7
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2015-12-04 20:02:35 +01:00 |
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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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Merged with LCPQ
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2016-03-14 16:12:25 +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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Downgraded ZeroMQ to 4.0.7
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2015-12-04 20:02:35 +01:00 |
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FOBOCI
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Modifs of fobo-scf
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2016-07-16 16:09:50 +02:00 |
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Full_CI
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Good Dyall Hamiltonian
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2016-09-07 14:49:52 +02:00 |
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Generators_CAS
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minilist primitive/tri par alpha en cours
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2015-10-16 13:06:19 +02:00 |
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Generators_full
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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Generators_restart
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FOBO-SCF executable works
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2016-03-11 23:27:39 +01:00 |
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Hartree_Fock
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Merged with LCPQ
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2016-03-14 16:12:25 +01:00 |
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loc_cele
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Good Dyall Hamiltonian
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2016-09-07 14:49:52 +02:00 |
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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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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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Update readme
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2015-11-08 21:02:55 +01:00 |
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MRCC_Utils
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Distributed PT2
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2016-02-19 00:20:28 +01:00 |
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MRCC_Utils_new
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Changed psi_svd into psi_bilinear
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2015-07-30 16:05:28 +02:00 |
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MRPT_Utils
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second order ok for 2h1p
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2016-09-18 20:53:28 +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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Good Dyall Hamiltonian
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2016-09-07 14:49:52 +02:00 |
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Properties
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New PT2 with dressed matrix is working on H2
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2016-08-30 14:10:52 +02:00 |
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Psiref_CAS
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Added target_pt2_qmc
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2015-10-19 17:28:08 +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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added print_hcc and OVB plugin
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2016-02-17 10:52:57 +01:00 |
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QmcChem
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Downgraded ZeroMQ to 4.0.7
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2015-12-04 20:02:35 +01:00 |
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qmcpack
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Update qp_convert_qmcpack_to_ezfio.py
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2016-03-10 08:40:20 +01:00 |
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Selectors_full
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New perturbation theory is working
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2016-08-26 18:00:49 +02:00 |
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Selectors_no_sorted
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Remove dead code
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2016-02-19 15:07:38 +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 |
