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All_singles
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
analyze_wf
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Minor changes
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2017-10-16 15:06:24 +02:00 |
CAS_SD_ZMQ
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Fixed CAS_SD
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2017-11-28 18:20:26 +01:00 |
Casino
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
CID
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
CID_SC2_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
CID_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
CIS
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Fixed qp_run
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2017-11-27 17:18:14 +01:00 |
CISD
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Fixed CISD
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2017-11-29 10:06:55 +01:00 |
CISD_SC2_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
CISD_selected
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
DensityMatrix
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
DFT_Utils
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Revert "merge with main branch"
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2017-04-20 08:48:06 +02:00 |
Dressed_Ref_Hamiltonian
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Added OVB_effective_Hamiltonian
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2016-02-17 12:22:45 +01:00 |
FCIdump
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
FOBOCI
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
FourIdx
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Fixed Slater's Rules
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2017-10-05 18:48:38 +02:00 |
Full_CI
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qdpt test
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2017-11-28 17:11:44 +01:00 |
Full_CI_ZMQ
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Fixed CAS_SD
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2017-11-28 18:20:26 +01:00 |
Full_CI_ZMQ_GPI2
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Working on GPI2
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2017-07-22 13:33:28 +02:00 |
Generators_CAS
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Fixed selection CASSD slave
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2017-05-23 19:30:51 +02:00 |
Generators_full
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
Generators_restart
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
GPI2
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fixed travis
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2017-08-15 18:40:28 +02:00 |
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 |
Hartree_Fock_SlaterDressed
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
loc_cele
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
Molden
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
MP2
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Minor changes in mp2
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2017-05-31 02:34:54 +02:00 |
MR_wf_analysis
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
MRCC_Utils
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Cleaning
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2017-11-27 11:28:16 +01:00 |
mrcepa0
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not very efficient but working mrsc2
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2017-10-06 13:05:57 +02:00 |
MRPT
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Fixed AOs to MOs
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2017-09-11 23:48:52 +02:00 |
MRPT_Utils
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Fixed AOs to MOs
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2017-09-11 23:48:52 +02:00 |
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 |
OVB
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added print_hcc and OVB plugin
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2016-02-17 10:52:57 +01:00 |
OVB_effective_Hamiltonian
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Added OVB_effective_Hamiltonian
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2016-02-17 12:22:45 +01:00 |
Perturbation
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qdpt test
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2017-11-28 17:11:44 +01:00 |
Properties
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
Psiref_CAS
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
Psiref_Utils
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
QMC
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Fixed travis
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2017-11-27 13:43:05 +01:00 |
read_integral
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
Selectors_CASSD
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
Selectors_full
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
Selectors_no_sorted
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
Selectors_Utils
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MPI with I/O
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2017-11-28 14:20:17 +01:00 |
SingleRefMethod
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |