LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-02-12 20:54:39 +01:00
Code Issues Releases Wiki Activity
quantum_package/plugins
History
Anthony Scemama ac40124ac6 Move mmap.f90
2016-06-15 14:23:19 +02:00
..
Alavi
Epic merge for the doc...
2015-07-16 15:44:51 +02:00
All_singles
added tests for all_1h_1p
2016-02-16 12:34:04 +01:00
CAS_SD
Distributed PT2
2016-02-19 00:20:28 +01:00
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
Distributed PT2
2016-02-19 00:20:28 +01:00
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
Extract CAS
2016-04-11 10:39:27 +02:00
Full_CI
Upgraded ZeroMQ
2016-06-06 10:56:28 +02:00
Generators_CAS
CISD save energy
2015-09-11 15:30:44 +02:00
Generators_full
Upgraded ZeroMQ
2016-06-06 10:56:28 +02:00
Generators_restart
Fix README and graphiz
2015-07-16 10:40:57 +02:00
Hartree_Fock
Corrected libint bug
2016-04-06 21:23:26 +02:00
loc_cele
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
Molden
Implemented Spherical AOs
2016-01-27 00:19:08 +01:00
MP2
Fixed MP2 and MP2 wf
2016-01-02 21:45:28 +01:00
MRCC_CASSD
Repaired ZMQ
2016-05-10 23:21:38 +02:00
MRCC_Utils
Repaired ZMQ
2016-05-10 23:21:38 +02:00
MRCC_Utils_new
Changed psi_svd into psi_bilinear
2015-07-30 16:05:28 +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
MRCC+PT2
2016-04-01 23:33:58 +02:00
Properties
added print_hcc and OVB plugin
2016-02-17 10:52:57 +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
Dressed dmc
2016-06-13 10:29:47 +02:00
qmcpack
Merge pull request #38 from scemama/master
2016-03-07 20:33:50 +01:00
Selectors_full
Remove dead code
2016-02-19 15:07:38 +01:00
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