| .. |
|
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
|
Added PT2 to FCI ZMQ
|
2016-08-04 15:15:14 +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 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
|
Repaired ZMQ
|
2016-05-10 23:21:38 +02:00 |
|
MRCC_Utils
|
Lambda-free MRCC now works
|
2016-08-05 17:53:20 +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 |
