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quantum_package/plugins
History
Lorenzo Tenti 045d116bd3 Merge branch 'master' of https://github.com/LCPQ/quantum_package into LCPQ-master 
Conflicts:
	ocaml/qp_edit.ml
	plugins/loc_cele/loc.f
	plugins/loc_cele/loc_cele.irp.f
2016-03-14 17:49:10 +01:00
..
Alavi Epic merge for the doc... 2015-07-16 15:44:51 +02:00
All_singles added tests for all_1h_1p 2016-02-16 12:34:04 +01:00
CAS_SD Distributed PT2 2016-02-19 00:20:28 +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 Distributed PT2 2016-02-19 00:20:28 +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 Distributed PT2 2016-02-19 00:20:28 +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 Fix README and graphiz 2015-07-16 10:40:57 +02:00
Hartree_Fock Distributed PT2 2016-02-19 00:20:28 +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 Distributed PT2 2016-02-19 00:20:28 +01:00
Properties added print_hcc and OVB plugin 2016-02-17 10:52:57 +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