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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-25 22:52:15 +02:00
quantum_package/plugins
Thomas Applencourt d533eb50c1 Fix Read Integral (#197)
* Fix read_integrals

* Fix mo_mono_ints
2017-06-08 21:30:39 +02:00
..
All_singles Merged scemama-master 2017-04-20 19:18:16 +02:00
analyze_wf Merged scemama-master 2017-04-20 19:18:16 +02:00
CAS_SD Merged scemama-master 2017-04-20 19:18:16 +02:00
CAS_SD_ZMQ Conditional compiling for ZMQ_PUSH 2017-05-16 16:31:35 +02:00
Casino Merged scemama-master 2017-04-20 19:18:16 +02:00
CASSCF Distributed PT2 2016-02-19 00:20:28 +01:00
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 Merged scemama-master 2017-04-20 19:18:16 +02:00
CISD Merged scemama-master 2017-04-20 19:18:16 +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
DDCI_selected Merged scemama-master 2017-04-20 19:18:16 +02:00
DensityMatrix Merged scemama-master 2017-04-20 19:18:16 +02:00
DFT_Utils Revert "merge with main branch" 2017-04-20 08:48:06 +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 Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
Full_CI Adjusted send/receive buffers 2017-05-04 23:36:10 +02:00
Full_CI_ZMQ Reduced stask size 2017-05-18 15:05:36 +02:00
Generators_CAS Merged scemama-master 2017-04-20 19:18:16 +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
Hartree_Fock Merged scemama-master 2017-04-20 19:18:16 +02:00
loc_cele Fixed for new IRPF90 2017-05-16 16:58:24 +02:00
Molden Merged scemama-master 2017-04-20 19:18:16 +02:00
MP2 Merged scemama-master 2017-04-20 19:18:16 +02:00
MRCC_Utils Merged scemama-master 2017-04-20 19:18:16 +02:00
mrcepa0 Fixed for new IRPF90 2017-05-16 16:58:24 +02:00
MRPT Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
MRPT_Utils Merged scemama-master 2017-04-20 19:18:16 +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 2017-04-21 23:33:35 +02:00
Properties Merged scemama-master 2017-04-20 19:18:16 +02:00
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
QmcChem Merged scemama-master 2017-04-20 19:18:16 +02:00
qmcpack Merge Anouar (#53) 2017-04-21 22:34:25 +02:00
read_integral Fix Read Integral (#197) 2017-06-08 21:30:39 +02:00
Selectors_CASSD Fixed selection slave 2016-11-16 15:18:24 +01:00
Selectors_full Merged scemama-master 2017-04-20 19:18:16 +02:00
Selectors_no_sorted Merged scemama-master 2017-04-20 19:18:16 +02:00
SingleRefMethod Merged scemama-master 2017-04-20 19:18:16 +02:00