| .. |
|
Alavi
|
Epic merge for the doc...
|
2015-07-16 15:44:51 +02:00 |
|
All_singles
|
Merge branch 'LCPQ-master'
|
2016-09-22 12:19:43 +02:00 |
|
CAS_SD
|
Corrected bugs in CASSD
|
2016-09-30 16:41:51 +02:00 |
|
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 |
|
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
|
Improved diagonalization
|
2016-09-23 14:23:03 +02:00 |
|
Full_CI
|
Corrected diagonalize_CI
|
2016-09-30 15:12:17 +02:00 |
|
Full_CI_ZMQ
|
need to touch dav_size before filling dav_det for ifort
|
2016-10-05 11:27:35 +02:00 |
|
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
|
merge with LCPQ
|
2016-07-06 16:15:47 +02:00 |
|
Molden
|
rm Molden/aos.irp.f
|
2016-03-15 01:16:56 +01:00 |
|
MP2
|
Fixed MP2 and MP2 wf
|
2016-01-02 21:45:28 +01:00 |
|
MRCC_CASSD
|
--amend
|
2016-09-22 12:15:20 +02:00 |
|
MRCC_Utils
|
Added S2 davidson to MRCC
|
2016-09-30 22:29:22 +02:00 |
|
mrcepa0
|
Improved diagonalization
|
2016-09-23 14:23:03 +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
|
Added dummy selection
|
2016-09-28 21:14:35 +02:00 |
|
Properties
|
--amend
|
2016-09-22 12:15:20 +02:00 |
|
Psiref_CAS
|
Merge branch 'LCPQ-master'
|
2016-09-22 12:19:43 +02:00 |
|
Psiref_threshold
|
Cleaned MRCC in MRCC_Utils
|
2015-07-13 18:00:38 +02:00 |
|
Psiref_Utils
|
--amend
|
2016-09-22 12:15:20 +02:00 |
|
QmcChem
|
Improved diagonalization
|
2016-09-23 14:23:03 +02:00 |
|
qmcpack
|
merge with LCPQ
|
2016-07-06 16:15:47 +02:00 |
|
Selectors_full
|
Fixed assert:BANDON
|
2016-10-02 23:12:17 +02:00 |
|
Selectors_no_sorted
|
--amend
|
2016-09-22 12:15:20 +02:00 |
|
SingleRefMethod
|
Added target_pt2_qmc
|
2015-10-19 17:28:08 +02:00 |
