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quantum_package/plugins
History
Emmanuel Giner 3223f9a14c Merge pull request #157 from lorenzotenti/master 
print_mo works with new version of Molden, loc_cele fixed.
2016-03-15 01:23:00 +01:00
..
Alavi
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
All_singles
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
CAS_SD
Merged with LCPQ
2016-03-14 16:12:25 +01:00
Casino
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
CASSCF
Distributed PT2
2016-02-19 00:20:28 +01:00
CID
Shells in README
2015-11-08 21:37:50 +01:00
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
Distributed PT2
2016-02-19 00:20:28 +01:00
CISD
Downgraded ZeroMQ to 4.0.7
2015-12-04 20:02:35 +01:00
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
Merged with LCPQ
2016-03-14 16:12:25 +01:00
DensityMatrix
Fix README and graphiz
2015-07-16 10:40:57 +02:00
Dressed_Ref_Hamiltonian
Added OVB_effective_Hamiltonian
2016-02-17 12:22:45 +01:00
FCIdump
Downgraded ZeroMQ to 4.0.7
2015-12-04 20:02:35 +01:00
FOBOCI
rm FOBOCI/H_apply_dressed_autonom_bis.irp.f
2016-03-14 16:21:05 +01:00
Full_CI
Distributed PT2
2016-02-19 00:20:28 +01:00
Generators_CAS
minilist primitive/tri par alpha en cours
2015-10-16 13:06:19 +02:00
Generators_full
Added target_pt2_qmc
2015-10-19 17:28:08 +02:00
Generators_restart
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
Hartree_Fock
Merged with LCPQ
2016-03-14 16:12:25 +01:00
loc_cele
Merge branch 'master' of https://github.com/LCPQ/quantum_package into LCPQ-master
2016-03-14 17:49:10 +01:00
Molden
Now print_mo works with the new version of Molden, loc_cele fixed.
2016-03-14 17:32:20 +01:00
MP2
Fixed MP2 and MP2 wf
2016-01-02 21:45:28 +01:00
MRCC_CASSD
Update readme
2015-11-08 21:02:55 +01:00
MRCC_Utils
Distributed PT2
2016-02-19 00:20:28 +01:00
MRCC_Utils_new
Changed psi_svd into psi_bilinear
2015-07-30 16:05:28 +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
Merged with LCPQ
2016-03-14 16:12:25 +01:00
Properties
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
Psiref_CAS
Added target_pt2_qmc
2015-10-19 17:28:08 +02:00
Psiref_threshold
Cleaned MRCC in MRCC_Utils
2015-07-13 18:00:38 +02:00
Psiref_Utils
added print_hcc and OVB plugin
2016-02-17 10:52:57 +01:00
QmcChem
Downgraded ZeroMQ to 4.0.7
2015-12-04 20:02:35 +01:00
qmcpack
Update qp_convert_qmcpack_to_ezfio.py
2016-03-10 08:40:20 +01:00
Selectors_full
Remove dead code
2016-02-19 15:07:38 +01:00
Selectors_no_sorted
Remove dead code
2016-02-19 15:07:38 +01:00
SingleRefMethod
Added target_pt2_qmc
2015-10-19 17:28:08 +02:00