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mirror of https://github.com/LCPQ/quantum_package synced 2024-07-23 03:07:34 +02:00
quantum_package/plugins
2019-06-28 00:16:47 +02:00
..
All_singles Fixed EZFIO 2019-02-05 21:59:26 +01:00
analyze_wf Bug in analyze_wf 2017-12-04 10:31:54 +01:00
CAS_SD_ZMQ Fixed EZFIO 2019-02-05 21:59:26 +01:00
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 Removed output variables 2018-01-05 14:38:32 +00:00
CISD FOBOCI compiles 2019-06-27 23:38:05 +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 Removed aligns 2017-11-27 10:58:32 +01:00
DFT_Utils Revert "Bugs to fix (#50)" (#51) 2017-04-20 08:45:56 +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 fixed bug in FOBOSCF 2019-06-28 00:16:47 +02:00
FourIdx Fixed Slater's Rules 2017-10-05 18:48:38 +02:00
Full_CI Fixed EZFIO 2019-02-05 21:59:26 +01:00
Full_CI_ZMQ Fixed EZFIO 2019-02-05 21:59:26 +01:00
Full_CI_ZMQ_GPI2 Working on GPI2 2017-07-22 13:33:28 +02:00
Generators_CAS Fixed travis 2018-01-05 18:15:34 +01:00
Generators_full Fixed EZFIO 2019-02-05 21:59:26 +01:00
Generators_restart Fixed travis 2018-01-05 18:15:34 +01:00
GPI2 Fixes #223 2018-01-12 21:42:37 +01:00
Hartree_Fock Fixed EZFIO 2019-02-05 21:59:26 +01:00
Hartree_Fock_SlaterDressed Removed aligns 2017-11-27 10:58:32 +01:00
loc_cele Modifs Manus 2017-10-27 12:20:00 +02:00
Molden Merged scemama-master 2017-04-20 19:18:16 +02:00
MP2 Removed parallelism in old selection 2017-12-08 10:48:09 +01:00
MR_wf_analysis Modifs Manus 2017-10-27 12:20:00 +02:00
MRCC_Utils Fixed EZFIO 2019-02-05 21:59:26 +01:00
mrcepa0 Fixed EZFIO 2019-02-05 21:59:26 +01:00
MRPT Fixed AOs to MOs 2017-09-11 23:48:52 +02:00
MRPT_Utils Fixed EZFIO 2019-02-05 21:59:26 +01:00
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 Fixed EZFIO 2019-02-05 21:59:26 +01:00
Properties fixed bug in FOBOSCF 2019-06-28 00:16:47 +02:00
Psiref_CAS Fixed EZFIO 2019-02-05 21:59:26 +01:00
Psiref_Utils Fixed EZFIO 2019-02-05 21:59:26 +01:00
QMC Update qp_convert_qmcpack_to_ezfio.py 2018-06-14 15:29:52 -05:00
read_integral Fixes #223 (#226) 2018-01-13 18:43:34 +01:00
Selectors_CASSD Fixed EZFIO 2019-02-05 21:59:26 +01:00
Selectors_full FOBOCI compiles 2019-06-27 23:38:05 +02:00
Selectors_no_sorted Fixed EZFIO 2019-02-05 21:59:26 +01:00
Selectors_Utils Fixed EZFIO 2019-02-05 21:59:26 +01:00
SingleRefMethod FOBOCI compiles 2019-06-27 23:38:05 +02:00
Symmetry Fixed travis 2018-01-05 18:15:34 +01:00