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All_singles
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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CAS_SD_ZMQ
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Fixed itegral8 in CASSD
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2017-09-14 17:16:33 +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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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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Merged scemama-master
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2017-04-20 19:18:16 +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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Fixed
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2017-09-13 09:06:32 +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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Fixed integral8
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2017-09-14 12:43:18 +02:00 |
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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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Added support for GPI2
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2017-07-21 03:34:07 +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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Cleaning
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2017-09-14 11:36:27 +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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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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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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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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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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Cleaning
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2017-06-26 18:27:52 +02:00 |
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Properties
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Merged scemama-master
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2017-04-20 19:18:16 +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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Increase precision in MOs for qmcpack
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2017-07-19 23:35:00 +00:00 |
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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 |
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analyze_wf
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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loc_cele
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Fixed for new IRPF90
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2017-05-16 16:58:24 +02:00 |
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mrcepa0
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print
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2017-09-14 17:20:42 +02:00 |
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read_integral
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Merge branch 'master' into master
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2017-06-16 18:43:17 +02:00 |
Anthony Scemama
f07790632d