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All_singles
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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analyze_wf
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Minor changes
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2017-10-16 15:06:24 +02:00 |
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CAS_SD_ZMQ
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MPI test is OK
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2017-11-23 10:35:13 +01:00 |
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Casino
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CID
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CID_SC2_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CID_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CIS
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CISD
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CISD_SC2_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CISD_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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DensityMatrix
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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DFT_Utils
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Revert "Bugs to fix (#50)" (#51)
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2017-04-20 08:45:56 +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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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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FOBOCI
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Merge http://github.com/scemama/quantum_package
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2017-10-27 12:21:45 +02:00 |
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FourIdx
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Fixed Slater's Rules
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2017-10-05 18:48:38 +02:00 |
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Full_CI
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Removed do_pt2_end for do_pt2
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2017-06-26 19:12:44 +02:00 |
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Full_CI_ZMQ
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MPI test is OK
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2017-11-23 10:35:13 +01:00 |
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Full_CI_ZMQ_GPI2
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Working on GPI2
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2017-07-22 13:33:28 +02:00 |
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Generators_CAS
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Fixed selection CASSD slave
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2017-05-23 19:30:51 +02:00 |
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Generators_full
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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Generators_restart
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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GPI2
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fixed travis
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2017-08-15 18:40:28 +02:00 |
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Hartree_Fock
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Merge http://github.com/scemama/quantum_package
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2017-10-27 12:21:45 +02:00 |
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Hartree_Fock_SlaterDressed
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save
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2017-07-03 15:31:03 +02:00 |
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loc_cele
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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Molden
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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MP2
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Minor changes in mp2
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2017-05-31 02:34:54 +02:00 |
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MPI
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MPI test is OK
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2017-11-23 10:35:13 +01:00 |
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MR_wf_analysis
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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MRCC_Utils
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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mrcepa0
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not very efficient but working mrsc2
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2017-10-06 13:05:57 +02:00 |
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MRPT
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Fixed AOs to MOs
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2017-09-11 23:48:52 +02:00 |
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MRPT_Utils
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Fixed AOs to MOs
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2017-09-11 23:48:52 +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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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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Properties
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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Psiref_CAS
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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Psiref_Utils
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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QMC
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Faster four idx transformation
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2017-10-13 17:32:40 +02:00 |
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read_integral
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read_integrals
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2017-09-26 14:54:18 +02:00 |
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Selectors_CASSD
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Fixed ddcc1a5
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2017-06-26 20:59:59 +02:00 |
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Selectors_full
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Fixed
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2017-05-27 23:31:05 +02:00 |
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Selectors_no_sorted
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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SingleRefMethod
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
