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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
quantum_package/plugins
2016-09-08 10:12:28 +02:00
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Alavi Epic merge for the doc... 2015-07-16 15:44:51 +02:00
All_singles merge with LCPQ 2016-07-06 16:15:47 +02:00
CAS_SD merge with LCPQ 2016-07-06 16:15:47 +02:00
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 merge with LCPQ 2016-07-06 16:15:47 +02:00
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 Merge branch 'master' of https://github.com/scemama/quantum_package 2016-05-13 10:25:50 +02:00
Full_CI Massively parallel selection 2016-08-01 16:05:40 +02:00
Full_CI_ZMQ working debug version 2016-09-08 10:12:28 +02:00
Generators_CAS minilist primitive/tri par alpha en cours 2015-10-16 13:06:19 +02:00
Generators_full Upgraded ZeroMQ 2016-06-06 10:56:28 +02:00
Generators_restart merge with LCPQ 2016-07-06 16:15:47 +02:00
Hartree_Fock Merge branch 'LCPQ-master' 2016-07-06 11:30:47 +02:00
loc_cele merge with LCPQ 2016-07-06 16:15:47 +02:00
Molden rm Molden/aos.irp.f 2016-03-15 01:16:56 +01:00
MP2 Fixed MP2 and MP2 wf 2016-01-02 21:45:28 +01:00
MRCC_CASSD merge with LCPQ 2016-07-06 16:15:47 +02:00
MRCC_Utils Multiple generators per task 2016-08-03 00:18:53 +02:00
MRCC_Utils_new Changed psi_svd into psi_bilinear 2015-07-30 16:05:28 +02:00
mrcepa0 Multiple generators per task 2016-08-03 00:18:53 +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 Merge branch 'master' of https://github.com/scemama/quantum_package 2016-05-13 10:25:50 +02:00
Properties FOBO-SCF executable works 2016-03-11 23:27:39 +01:00
Psiref_CAS Optim MRCC + davidson 2016-05-02 17:06:18 +02:00
Psiref_threshold Cleaned MRCC in MRCC_Utils 2015-07-13 18:00:38 +02:00
Psiref_Utils Forgot files 2016-04-11 10:48:36 +02:00
QmcChem merge with LCPQ 2016-07-06 16:15:47 +02:00
qmcpack merge with LCPQ 2016-07-06 16:15:47 +02:00
Selectors_full No more davidson on clients 2016-08-01 23:08:22 +02:00
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