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quantum_package/plugins
History
Anthony Scemama a2750bb55c Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
..
Alavi
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
All_singles
Merge branch 'master' into master
2017-01-19 16:10:32 -06:00
CAS_SD
Merge pull request #176 from scemama/master
2016-11-16 18:15:01 -06:00
CAS_SD_ZMQ
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Casino
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CASSCF
Distributed PT2
2016-02-19 00:20:28 +01:00
CID
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CID_SC2_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
CID_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
CIS
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CISD
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
CISD_SC2_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
CISD_selected
Distributed PT2
2016-02-19 00:20:28 +01:00
DDCI_selected
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
DensityMatrix
Fix README and graphiz
2015-07-16 10:40:57 +02:00
DFT_Utils
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Dressed_Ref_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
FCIdump
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
FOBOCI
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Full_CI
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Full_CI_ZMQ
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Generators_CAS
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Generators_full
Update documetation...
2016-11-01 17:07:55 -05:00
Generators_restart
Update documetation...
2016-11-01 17:07:55 -05:00
Hartree_Fock
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
loc_cele
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Molden
merge with LCPQ
2016-07-06 16:15:47 +02:00
MP2
Converge MRCC to 1.e-6
2016-11-17 23:28:37 +01:00
mrcc_selected
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
MRCC_Utils
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
mrcepa0
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
MRPT
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
MRPT_Utils
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Orbital_Entanglement
Added the Orbital Entanglement plugin, added the list of active orbitals in bitmasks.irp.f.
2016-02-12 12:27:13 +01:00
OVB
added print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
OVB_effective_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
Perturbation
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Properties
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Psiref_CAS
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Psiref_threshold
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Psiref_Utils
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
QmcChem
Minor changes
2016-12-09 15:52:55 +01:00
qmcpack
Update qp_convert_qmcpack_to_ezfio.py
2016-11-04 16:00:47 -05:00
Selectors_CASSD
Fixed selection slave
2016-11-16 15:18:24 +01:00
Selectors_full
Merge pull request #176 from scemama/master
2016-11-16 18:15:01 -06:00
Selectors_no_sorted
Merge pull request #176 from scemama/master
2016-11-16 18:15:01 -06:00
SingleRefMethod
Added target_pt2_qmc
2015-10-19 17:28:08 +02:00