| .. |
|
All_singles
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
CAS_SD_ZMQ
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
CID
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
CID_SC2_selected
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
CID_selected
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
CIS
|
Removed output variables
|
2018-01-05 14:38:32 +00:00 |
|
CISD
|
FOBOCI compiles
|
2019-06-27 23:38:05 +02:00 |
|
CISD_SC2_selected
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
CISD_selected
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
Casino
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
DFT_Utils
|
Revert "merge with main branch"
|
2017-04-20 08:48:06 +02:00 |
|
DensityMatrix
|
Removed aligns
|
2017-11-27 10:58:32 +01:00 |
|
Dressed_Ref_Hamiltonian
|
Added OVB_effective_Hamiltonian
|
2016-02-17 12:22:45 +01:00 |
|
FCIdump
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
FOBOCI
|
fixed bug in FOBOSCF
|
2019-06-28 00:16:47 +02:00 |
|
FourIdx
|
Fixed Slater's Rules
|
2017-10-05 18:48:38 +02:00 |
|
Full_CI
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Full_CI_ZMQ
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Full_CI_ZMQ_GPI2
|
Working on GPI2
|
2017-07-22 13:33:28 +02:00 |
|
GPI2
|
Fixes #223
|
2018-01-12 21:42:37 +01:00 |
|
Generators_CAS
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
Generators_full
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Generators_restart
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
Hartree_Fock
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Hartree_Fock_SlaterDressed
|
Removed aligns
|
2017-11-27 10:58:32 +01:00 |
|
MP2
|
Removed parallelism in old selection
|
2017-12-08 10:48:09 +01:00 |
|
MRCC_Utils
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
MRPT
|
Fixed AOs to MOs
|
2017-09-11 23:48:52 +02:00 |
|
MRPT_Utils
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
MR_wf_analysis
|
Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
Molden
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
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 |
|
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 |
|
Perturbation
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Properties
|
fixed bug in FOBOSCF
|
2019-06-28 00:16:47 +02:00 |
|
Psiref_CAS
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Psiref_Utils
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
QMC
|
Update qp_convert_qmcpack_to_ezfio.py
|
2018-06-14 15:29:52 -05:00 |
|
Selectors_CASSD
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Selectors_Utils
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
Selectors_full
|
FOBOCI compiles
|
2019-06-27 23:38:05 +02:00 |
|
Selectors_no_sorted
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
SingleRefMethod
|
FOBOCI compiles
|
2019-06-27 23:38:05 +02:00 |
|
Symmetry
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
analyze_wf
|
Bug in analyze_wf
|
2017-12-04 10:31:54 +01:00 |
|
loc_cele
|
Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
mrcepa0
|
Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
|
read_integral
|
Fixes #223 (#226)
|
2018-01-13 18:43:34 +01:00 |
edd9add59f