| .. |
|
Alavi
|
Epic merge for the doc...
|
2015-07-16 15:44:51 +02:00 |
|
All_singles
|
Merge branch 'master' into master
|
2017-01-19 16:10:32 -06:00 |
|
analyze_wf
|
Inactives deactivated in MRCC
|
2017-04-13 00:47:44 +02:00 |
|
CAS_SD
|
Merge pull request #176 from scemama/master
|
2016-11-16 18:15:01 -06:00 |
|
CAS_SD_ZMQ
|
merged with toto
|
2017-04-13 16:27:08 +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 |
|
core_integrals
|
added core integrals
|
2017-04-14 19:08:39 +02:00 |
|
DDCI_selected
|
minor modifs in FOBOCI
|
2017-03-20 16:21:00 +01:00 |
|
DensityMatrix
|
Fix README and graphiz
|
2015-07-16 10:40:57 +02:00 |
|
DFT_Utils
|
DFT begins to work with lda
|
2017-04-14 12:50:27 +02:00 |
|
Dressed_Ref_Hamiltonian
|
Added OVB_effective_Hamiltonian
|
2016-02-17 12:22:45 +01:00 |
|
FCIdump
|
debugging FOBOCI
|
2017-03-16 21:21:27 +01:00 |
|
FOBOCI
|
minor modifs in FOBOCI
|
2017-03-20 16:21:00 +01:00 |
|
Full_CI
|
Minor changes
|
2017-03-20 17:27:23 +01:00 |
|
Full_CI_ZMQ
|
merged with toto
|
2017-04-13 16:27:08 +02:00 |
|
Generators_CAS
|
Fixed the perturbation with psi_ref instead of psi_det
|
2016-11-25 23:07:45 +01:00 |
|
Generators_full
|
Update documetation...
|
2016-11-01 17:07:55 -05:00 |
|
Generators_restart
|
Update documetation...
|
2016-11-01 17:07:55 -05:00 |
|
Hartree_Fock
|
Localized MOs
|
2017-03-20 12:11:54 +01:00 |
|
loc_cele
|
debugging FOBOCI
|
2017-03-16 21:21:27 +01:00 |
|
Molden
|
merge with LCPQ
|
2016-07-06 16:15:47 +02:00 |
|
MP2
|
Converge MRCC to 1.e-6
|
2016-11-17 23:28:37 +01:00 |
|
mrcc_selected
|
Fixed travis
|
2017-04-12 16:07:29 +02:00 |
|
MRCC_Utils
|
merged with toto
|
2017-04-13 16:27:08 +02:00 |
|
mrcepa0
|
merged with toto
|
2017-04-13 16:27:08 +02:00 |
|
MRPT
|
minor modifs
|
2017-03-27 15:28:20 +02:00 |
|
MRPT_Utils
|
fixed the factor 2 in lebedev
|
2017-04-13 18:32:14 +02:00 |
|
mrsc2_no_amp
|
Repaired selection
|
2017-01-30 09:38:04 +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
|
merged files
|
2017-03-20 16:34:57 +01:00 |
|
Properties
|
pedantic changes
|
2017-04-12 19:29:21 +02:00 |
|
Psiref_CAS
|
minor modifs
|
2017-03-27 15:29:19 +02:00 |
|
Psiref_threshold
|
MRCC_selected
|
2016-12-29 22:00:41 +01:00 |
|
Psiref_Utils
|
Memory in Davidson
|
2017-02-27 12:31:41 +01:00 |
|
QmcChem
|
Minor changes
|
2016-12-09 15:52:55 +01:00 |
|
qmcpack
|
Update qp_convert_qmcpack_to_ezfio.py
|
2016-11-04 16:00:47 -05:00 |
|
SCF_density
|
Added SCF_density
|
2017-03-16 21:21:45 +01:00 |
|
Selectors_CASSD
|
Fixed selection slave
|
2016-11-16 15:18:24 +01:00 |
|
Selectors_full
|
Merge pull request #176 from scemama/master
|
2016-11-16 18:15:01 -06:00 |
|
Selectors_no_sorted
|
Merge pull request #176 from scemama/master
|
2016-11-16 18:15:01 -06:00 |
|
SingleRefMethod
|
Added target_pt2_qmc
|
2015-10-19 17:28:08 +02:00 |
