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quantum_package/plugins
History
Anthony Scemama fa58b656f8 Fixed AOs to MOs
2017-09-11 23:48:52 +02:00
..
All_singles
Merged scemama-master
2017-04-20 19:18:16 +02:00
analyze_wf
Merged scemama-master
2017-04-20 19:18:16 +02:00
CAS_SD_ZMQ
Fixed ddcc1a5
2017-06-26 20:59:59 +02:00
Casino
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID_SC2_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CID_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CIS
Merged scemama-master
2017-04-20 19:18:16 +02:00
CISD
Merged scemama-master
2017-04-20 19:18:16 +02:00
CISD_SC2_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
CISD_selected
Merged scemama-master
2017-04-20 19:18:16 +02:00
DensityMatrix
Merged scemama-master
2017-04-20 19:18:16 +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
Merged scemama-master
2017-04-20 19:18:16 +02:00
FOBOCI
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
Full_CI
Removed do_pt2_end for do_pt2
2017-06-26 19:12:44 +02:00
Full_CI_ZMQ
Increase precision in MOs for qmcpack
2017-07-19 23:35:00 +00:00
Full_CI_ZMQ_GPI2
Working on GPI2
2017-07-22 13:33:28 +02:00
Generators_CAS
Fixed selection CASSD slave
2017-05-23 19:30:51 +02:00
Generators_full
Merged scemama-master
2017-04-20 19:18:16 +02:00
Generators_restart
Merged scemama-master
2017-04-20 19:18:16 +02:00
GPI2
Added support for GPI2
2017-07-21 03:34:07 +02:00
Hartree_Fock
Merge pull request #207 from scemama/master
2017-07-12 13:39:45 -05:00
Hartree_Fock_SlaterDressed
save
2017-07-03 15:31:03 +02:00
loc_cele
Fixed for new IRPF90
2017-05-16 16:58:24 +02:00
Molden
Merged scemama-master
2017-04-20 19:18:16 +02:00
MP2
Minor changes in mp2
2017-05-31 02:34:54 +02:00
MRCC_Utils
Merged scemama-master
2017-04-20 19:18:16 +02:00
mrcepa0
Fixed ddcc1a5
2017-06-26 20:59:59 +02:00
MRPT
Fixed AOs to MOs
2017-09-11 23:48:52 +02:00
MRPT_Utils
Fixed AOs to MOs
2017-09-11 23:48:52 +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
Cleaning
2017-06-26 18:27:52 +02:00
Properties
Merged scemama-master
2017-04-20 19:18:16 +02:00
Psiref_CAS
Merged scemama-master
2017-04-20 19:18:16 +02:00
Psiref_Utils
Merged scemama-master
2017-04-20 19:18:16 +02:00
QMC
Increase precision in MOs for qmcpack
2017-07-19 23:35:00 +00:00
read_integral
Merge branch 'master' into master
2017-06-16 18:43:17 +02:00
Selectors_CASSD
Fixed ddcc1a5
2017-06-26 20:59:59 +02:00
Selectors_full
Fixed
2017-05-27 23:31:05 +02:00
Selectors_no_sorted
Merged scemama-master
2017-04-20 19:18:16 +02:00
SingleRefMethod
Merged scemama-master
2017-04-20 19:18:16 +02:00