LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-02-03 00:11:22 +01:00
Code Issues Releases Wiki Activity
quantum_package/plugins
History
Anthony Scemama 5e7d914f4d Added -q to qp_set_frozen_core
2016-09-09 19:31:30 +02:00
..
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 with LCPQ
2016-07-06 16:15:47 +02:00
Full_CI
pseudo
2016-08-05 23:51:24 +02:00
Full_CI_ZMQ
Added -q to qp_set_frozen_core
2016-09-09 19:31:30 +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
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
Hartree_Fock
merge with LCPQ
2016-07-06 16:15:47 +02:00
loc_cele
merge with LCPQ
2016-07-06 16:15:47 +02:00
Molden
merge with LCPQ
2016-07-06 16:15:47 +02:00
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
Multi-state
2016-08-05 23:42:54 +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 with LCPQ
2016-07-06 16:15:47 +02:00
Properties
merge with LCPQ
2016-07-06 16:15:47 +02:00
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