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All_singles
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Python2
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2018-05-02 19:52:23 +02:00 |
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analyze_wf
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analyze_wf
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2018-04-09 18:34:45 +02:00 |
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Bk
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Fixed Bk
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2018-06-27 15:40:50 +02:00 |
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CAS_SD_ZMQ
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OpenMP in save_MRCC_wf
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2018-07-25 01:13:04 +02:00 |
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Casino
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Moved DavidsonDressed in plugins
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2018-02-19 15:14:17 +01:00 |
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CID
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Python2
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2018-05-02 19:52:23 +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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Python2
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2018-05-02 19:52:23 +02:00 |
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CIS
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Python2
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2018-05-02 19:52:23 +02:00 |
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CISD
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Truncate CISD coefs to 1.e-12
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2018-07-30 19:27:41 +02:00 |
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CISD_SC2_selected
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Python2
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2018-05-02 19:52:23 +02:00 |
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CISD_selected
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Python2
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2018-05-02 19:52:23 +02:00 |
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DavidsonDressed
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Fixed MRCC_ZMQ
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2018-09-29 00:43:31 +02:00 |
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DensityMatrix
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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DFT_Utils
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Revert "merge with main branch"
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2017-04-20 08:48:06 +02:00 |
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dress_zmq
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Update alpha factory
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2018-10-12 11:58:48 +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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FCIdump module updated from @eginer
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2018-10-15 11:18:45 +02:00 |
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FOBOCI
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Python2
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2018-05-02 19:52:23 +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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Python2
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2018-05-02 19:52:23 +02:00 |
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Full_CI_ZMQ
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Monte Carlo runs in parallel
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2018-10-13 11:48:46 +02:00 |
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Generators_CAS
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OpenMP in save_MRCC_wf
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2018-07-25 01:13:04 +02:00 |
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Generators_full
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Improved parallel scaling
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2018-09-18 00:03:39 +02:00 |
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Generators_restart
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Fixed travis
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2018-01-05 18:15:34 +01:00 |
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Hartree_Fock
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alpha -> beta
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2018-06-12 13:11:57 -05:00 |
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Hartree_Fock_SlaterDressed
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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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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Type errors
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2018-09-25 16:08:00 +02:00 |
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MP2
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Python2
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2018-05-02 19:52:23 +02:00 |
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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
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Added README
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2018-10-04 16:35:54 +02:00 |
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MRCC_Utils
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Save MRCC WF
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2018-07-24 17:59:14 +02:00 |
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mrcepa0
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Fixed MRCC_ZMQ
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2018-09-29 00:43:31 +02:00 |
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MRPT
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Moved DavidsonDressed in plugins
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2018-02-19 15:14:17 +01:00 |
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MRPT_Utils
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Fixed MRCC
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2018-06-27 15:25:12 +02:00 |
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NOFT
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NOFT (#73)
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2018-09-19 10:08:07 +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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Accelerated selection
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2018-10-02 21:58:30 +02:00 |
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Properties
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Moved DavidsonDressed in plugins
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2018-02-19 15:14:17 +01:00 |
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Psiref_CAS
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Fixed Travis
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2018-02-27 19:13:31 +01:00 |
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Psiref_Utils
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Iterative sbk, broken
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2018-05-23 18:16:33 +02:00 |
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pyscf
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python2
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2018-05-07 23:43:35 +02:00 |
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QMC
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Merge branch 'LCPQ-master'
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2018-06-25 12:41:22 +02:00 |
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read_integral
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Fixed MRCC
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2018-06-27 15:25:12 +02:00 |
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Selectors_CASSD
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Comment to clarify Selectors_CASSD
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2018-02-28 16:12:46 +01:00 |
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Selectors_full
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Improved parallel scaling
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2018-09-18 00:03:39 +02:00 |
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Selectors_no_sorted
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Fixed travis
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2018-01-05 18:15:34 +01:00 |
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Selectors_Utils
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Fixed MPI
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2018-09-09 12:20:33 +02:00 |
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shiftedbk
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Parallelism and static
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2018-10-10 10:28:05 +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 |
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Symmetry
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Fixed tests
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2018-07-27 11:04:30 +02:00 |
