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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 05:43:47 +01:00
quantum_package/plugins
2018-07-24 17:59:14 +02:00
..
All_singles Python2 2018-05-02 19:52:23 +02:00
analyze_wf analyze_wf 2018-04-09 18:34:45 +02:00
Bk Fixed Bk 2018-06-27 15:40:50 +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 Python2 2018-05-02 19:52:23 +02:00
CID_SC2_selected Merged scemama-master 2017-04-20 19:18:16 +02:00
CID_selected Python2 2018-05-02 19:52:23 +02:00
CIS Python2 2018-05-02 19:52:23 +02:00
CISD Python2 2018-05-02 19:52:23 +02:00
CISD_SC2_selected Python2 2018-05-02 19:52:23 +02:00
CISD_selected Python2 2018-05-02 19:52:23 +02:00
DavidsonDressed Barycentric 2018-05-07 15:21:28 +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
dress_zmq Fixed Bk 2018-06-27 15:40:50 +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 Python2 2018-05-02 19:52:23 +02:00
FourIdx Fixed Slater's Rules 2017-10-05 18:48:38 +02:00
Full_CI Python2 2018-05-02 19:52:23 +02:00
Full_CI_ZMQ Fixed PT2 in FCI_ZMQ 2018-07-03 15:42:52 +02:00
Generators_CAS syntax error in Generators_CAS 2018-06-12 14:44:32 +02:00
Generators_full Fixed selection 2018-06-25 14:18:46 +02:00
Generators_restart Fixed travis 2018-01-05 18:15:34 +01:00
Hartree_Fock alpha -> beta 2018-06-12 13:11:57 -05:00
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 Python2 2018-05-02 19:52:23 +02:00
MR_wf_analysis Modifs Manus 2017-10-27 12:20:00 +02:00
MRCC_Utils Save MRCC WF 2018-07-24 17:59:14 +02:00
mrcepa0 Save MRCC WF 2018-07-24 17:59:14 +02:00
MRPT Moved DavidsonDressed in plugins 2018-02-19 15:14:17 +01:00
MRPT_Utils Fixed MRCC 2018-06-27 15:25:12 +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 Python2 2018-05-02 19:52:23 +02:00
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 Iterative sbk, broken 2018-05-23 18:16:33 +02:00
pyscf python2 2018-05-07 23:43:35 +02:00
QMC Merge branch 'LCPQ-master' 2018-06-25 12:41:22 +02:00
read_integral Fixed MRCC 2018-06-27 15:25:12 +02:00
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 Update ZMQ and fix sBk 2018-07-17 14:05:23 +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