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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
quantum_package/plugins
2018-05-07 15:51:02 +02:00
..
All_singles Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
analyze_wf Bug in analyze_wf 2017-12-04 10:31:54 +01:00
Bk truncate_wf_spin 2018-05-07 15:51:02 +02:00
CAS_SD_ZMQ Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
Casino Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
CID Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
CID_SC2_selected Merged scemama-master 2017-04-20 19:18:16 +02:00
CID_selected Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
CIS Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
CISD Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
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
DavidsonDressed Multistate dressing OK 2018-03-23 13:47:47 +01:00
DensityMatrix Removed aligns 2017-11-27 10:58:32 +01:00
DFT_Utils Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
dress_zmq truncate_wf_spin 2018-05-07 15:51:02 +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 Removed aligns 2017-11-27 10:58:32 +01:00
FourIdx Fixed Slater's Rules 2017-10-05 18:48:38 +02:00
Full_CI Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
Full_CI_ZMQ corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk (#68) 2018-03-20 13:11:53 +01:00
Full_CI_ZMQ_GPI2 Working on GPI2 2017-07-22 13:33:28 +02:00
Generators_CAS Comment to clarify Selectors_CASSD 2018-02-28 16:12:46 +01:00
Generators_full Fixed multi-state 2018-01-10 18:55:08 +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 Merge branch 'master' of github.com:scemama/quantum_package 2018-01-10 19:11:08 +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 Fixed dependencies in modules 2018-02-21 16:45:51 +01:00
MR_wf_analysis Modifs Manus 2017-10-27 12:20:00 +02:00
mrcc_sto Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory 2018-03-05 17:26:43 +01:00
MRCC_Utils Added Bk module 2018-03-05 17:04:26 +01:00
mrcepa0 Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory 2018-03-05 17:26:43 +01:00
MRPT Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
MRPT_Utils Added Bk module 2018-03-05 17:04:26 +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 dependencies in modules 2018-02-21 16:45:51 +01:00
Properties Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
Psiref_CAS Fixed Travis 2018-02-27 19:13:31 +01:00
Psiref_Utils Added Bk module 2018-03-05 17:04:26 +01:00
QMC truncate_wf_spin 2018-05-07 15:51:02 +02:00
read_integral Fixes #223 2018-01-13 18:15:12 +01:00
Selectors_CASSD Comment to clarify Selectors_CASSD 2018-02-28 16:12:46 +01:00
Selectors_full Removed output variables 2018-01-05 14:38:32 +00:00
Selectors_no_sorted Fixed travis 2018-01-05 18:15:34 +01:00
Selectors_Utils Removed output variables 2018-01-05 14:38:32 +00:00
shiftedbk Added shifted_bk_slave 2018-03-26 12:06:18 +02:00
SingleRefMethod Merged scemama-master 2017-04-20 19:18:16 +02:00
Symmetry Fixed travis 2018-01-05 18:15:34 +01:00