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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 05:43:47 +01:00
quantum_package/plugins
2017-12-11 15:28:24 +01:00
..
All_singles Modifs Manus 2017-10-27 12:20:00 +02:00
analyze_wf Bug in analyze_wf 2017-12-04 10:31:54 +01:00
CAS_SD_ZMQ Format in pseudo 2017-12-01 13:27:34 +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 Fixed qp_run 2017-11-27 17:18:14 +01:00
CISD Fixed CISD 2017-11-29 10:06:55 +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
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 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 qdpt test 2017-11-28 17:11:44 +01:00
Full_CI_ZMQ Format in pseudo 2017-12-01 13:27:34 +01:00
Full_CI_ZMQ_GPI2 Working on GPI2 2017-07-22 13:33:28 +02:00
Generators_CAS Fixed selection CASSD slave 2017-05-23 19:30:51 +02:00
Generators_full Merged scemama-master 2017-04-20 19:18:16 +02:00
Generators_restart Merged scemama-master 2017-04-20 19:18:16 +02:00
GPI2 fixed travis 2017-08-15 18:40:28 +02:00
Hartree_Fock Merge http://github.com/scemama/quantum_package 2017-10-27 12:21:45 +02:00
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 Minor changes in mp2 2017-05-31 02:34:54 +02:00
MR_wf_analysis Modifs Manus 2017-10-27 12:20:00 +02:00
MRCC_Utils MRCC merge with garniroy, broken 2017-12-04 12:04:46 +01:00
mrcepa0 mrcc_zmq updated for recent changes 2017-12-11 15:28:24 +01:00
MRPT Fixed AOs to MOs 2017-09-11 23:48:52 +02:00
MRPT_Utils Fixed AOs to MOs 2017-09-11 23:48:52 +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 qdpt test 2017-11-28 17:11:44 +01:00
Properties Removed aligns 2017-11-27 10:58:32 +01:00
Psiref_CAS Merged scemama-master 2017-04-20 19:18:16 +02:00
Psiref_Utils Merged scemama-master 2017-04-20 19:18:16 +02:00
QMC Fixed travis 2017-11-27 13:43:05 +01:00
read_integral Removed aligns 2017-11-27 10:58:32 +01:00
Selectors_CASSD Removed aligns 2017-11-27 10:58:32 +01:00
Selectors_full Removed aligns 2017-11-27 10:58:32 +01:00
Selectors_no_sorted Removed aligns 2017-11-27 10:58:32 +01:00
Selectors_Utils Parallelism OK with 50 nodes 2017-11-29 19:10:27 +01:00
SingleRefMethod Merged scemama-master 2017-04-20 19:18:16 +02:00