| .. |
|
Alavi
|
Epic merge for the doc...
|
2015-07-16 15:44:51 +02:00 |
|
All_singles
|
Merge with Dr. Giner
|
2016-11-02 21:46:12 +01:00 |
|
CAS_SD
|
Updated FCI for S2 eig
|
2016-11-10 14:42:41 +01:00 |
|
CAS_SD_ZMQ
|
threshold davidson = thres * 100
|
2016-12-05 09:28:04 +01:00 |
|
Casino
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|
CASSCF
|
Distributed PT2
|
2016-02-19 00:20:28 +01:00 |
|
CID
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|
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
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|
CISD
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|
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
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|
DensityMatrix
|
Fix README and graphiz
|
2015-07-16 10:40:57 +02:00 |
|
DFT_Utils
|
Modifs of fobo-scf
|
2016-07-16 16:09:50 +02:00 |
|
Dressed_Ref_Hamiltonian
|
Added OVB_effective_Hamiltonian
|
2016-02-17 12:22:45 +01:00 |
|
FCIdump
|
Extracting davidson from slater rules
|
2016-09-20 17:29:02 +02:00 |
|
FOBOCI
|
logical comparisons with .eqv.
|
2016-11-14 19:33:17 +01:00 |
|
Full_CI
|
Moved threshold_perturbation_pt2
|
2016-11-10 14:24:54 +01:00 |
|
Full_CI_ZMQ
|
threshold davidson = thres * 100
|
2016-12-05 09:28:04 +01:00 |
|
Generators_CAS
|
--amend
|
2016-09-22 12:15:20 +02:00 |
|
Generators_full
|
FIxed Davidson
|
2016-09-25 22:14:17 +02:00 |
|
Generators_restart
|
--amend
|
2016-09-22 12:15:20 +02:00 |
|
Hartree_Fock
|
Merge branch 'LCPQ-master'
|
2016-09-22 12:19:43 +02:00 |
|
loc_cele
|
logical comparisons with .eqv.
|
2016-11-14 19:33:17 +01:00 |
|
Molden
|
rm Molden/aos.irp.f
|
2016-03-15 01:16:56 +01:00 |
|
MP2
|
Converge MRCC to 1.e-6
|
2016-11-17 23:28:37 +01:00 |
|
mrcc_selected
|
Accelerated MRSC2
|
2016-11-30 21:20:36 +01:00 |
|
MRCC_Utils
|
Fixed mrcc=2
|
2016-12-12 12:16:56 +01:00 |
|
mrcepa0
|
Restored symmetrization
|
2016-11-30 11:32:40 +01:00 |
|
MRPT
|
Cleaned MRPT
|
2016-11-04 22:31:55 +01:00 |
|
MRPT_Utils
|
Moved MRPT_Utils
|
2016-11-30 17:02:28 +01:00 |
|
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
|
Moved threshold_perturbation_pt2
|
2016-11-10 14:24:54 +01:00 |
|
Properties
|
Merge with Dr. Giner
|
2016-11-02 21:46:12 +01:00 |
|
Psiref_CAS
|
Add read_wf to overwrite_with_cas
|
2016-10-11 09:44:28 +02:00 |
|
Psiref_threshold
|
Fixed mrcc_selected
|
2016-11-29 17:54:10 +01:00 |
|
Psiref_Utils
|
Corrected bug for multi-state MRCC
|
2016-11-15 10:32:57 +01:00 |
|
QmcChem
|
Fixed Pseudo and dummy atoms
|
2016-11-29 16:43:36 +01:00 |
|
qmcpack
|
merge with LCPQ
|
2016-07-06 16:15:47 +02:00 |
|
Selectors_CASSD
|
Fixed selection slave
|
2016-11-16 15:18:24 +01:00 |
|
Selectors_full
|
Introduced PT2 energy denomitator provider
|
2016-11-11 23:07:58 +01:00 |
|
Selectors_no_sorted
|
Merge with Dr. Giner
|
2016-11-02 21:46:12 +01:00 |
|
SingleRefMethod
|
Added target_pt2_qmc
|
2015-10-19 17:28:08 +02:00 |
