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All_singles
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Compiles
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2017-12-18 14:31:45 +01:00 |
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CAS_SD_ZMQ
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Added ZMQ 4idx
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2017-12-05 18:54:10 +01:00 |
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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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CIS doesn't read wf
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2017-12-06 19:22:52 +01:00 |
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CISD
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Fixed CISD
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2017-11-29 10:06:55 +01:00 |
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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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Casino
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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 "merge with main branch"
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2017-04-20 08:48:06 +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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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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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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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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Fixed old FCI:
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2017-12-08 17:07:28 +01:00 |
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Full_CI_ZMQ
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Fixed memory leak in 4idx
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2017-12-12 15:28:27 +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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GPI2
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fixed travis
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2017-08-15 18:40:28 +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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Hartree_Fock
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Nested parallelism in 4idx
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2017-12-12 16:26:48 +01:00 |
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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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MP2
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Removed parallelism in old selection
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2017-12-08 10:48:09 +01:00 |
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MRCC_Utils
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MRCC merge with garniroy, broken
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2017-12-04 12:04:46 +01:00 |
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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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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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Molden
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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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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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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Perturbation
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qdpt test
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2017-11-28 17:11:44 +01:00 |
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Properties
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Revert 4idx
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2017-12-08 16:17:54 +01:00 |
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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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Multi-state modification for qmcpack
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2017-12-19 18:27:39 +01:00 |
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Selectors_CASSD
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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Selectors_Utils
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Parallelism OK with 50 nodes
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2017-11-29 19:10:27 +01:00 |
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Selectors_full
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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Selectors_no_sorted
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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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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Removed useless file
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2017-12-19 18:28:53 +01:00 |
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analyze_wf
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Bug in analyze_wf
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2017-12-04 10:31:54 +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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mrcepa0
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Fixed MRCEPA
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2017-12-18 18:40:49 +01:00 |
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read_integral
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
Anthony Scemama
c4a2b1f9a0