| .. |
|
All_singles
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
analyze_wf
|
analyze_wf
|
2018-04-09 18:34:45 +02:00 |
|
Bk
|
Fixed Bk
|
2018-06-27 15:40:50 +02:00 |
|
CAS_SD_ZMQ
|
OpenMP in save_MRCC_wf
|
2018-07-25 01:13:04 +02:00 |
|
Casino
|
Moved DavidsonDressed in plugins
|
2018-02-19 15:14:17 +01:00 |
|
CID
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
CID_SC2_selected
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
CID_selected
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
CIS
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
CISD
|
Truncate CISD coefs to 1.e-12
|
2018-07-30 19:27:41 +02:00 |
|
CISD_SC2_selected
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
CISD_selected
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
DavidsonDressed
|
Fixed shiftedBk
|
2018-09-25 09:56:12 +02:00 |
|
DensityMatrix
|
Removed aligns
|
2017-11-27 10:58:32 +01:00 |
|
DFT_Utils
|
Revert "Bugs to fix (#50)" (#51)
|
2017-04-20 08:45:56 +02:00 |
|
dress_zmq
|
Removed prints
|
2018-09-26 16:39:57 +02:00 |
|
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
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
FourIdx
|
Fixed Slater's Rules
|
2017-10-05 18:48:38 +02:00 |
|
Full_CI
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
Full_CI_ZMQ
|
Fixed sBK
|
2018-09-26 15:53:54 +02:00 |
|
Generators_CAS
|
OpenMP in save_MRCC_wf
|
2018-07-25 01:13:04 +02:00 |
|
Generators_full
|
Improved parallel scaling
|
2018-09-18 00:03:39 +02:00 |
|
Generators_restart
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
Hartree_Fock
|
alpha -> beta
|
2018-06-12 13:11:57 -05:00 |
|
Hartree_Fock_SlaterDressed
|
Removed aligns
|
2017-11-27 10:58:32 +01:00 |
|
loc_cele
|
Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
Molden
|
Type errors
|
2018-09-25 16:08:00 +02:00 |
|
MP2
|
Python2
|
2018-05-02 19:52:23 +02:00 |
|
MR_wf_analysis
|
Modifs Manus
|
2017-10-27 12:20:00 +02:00 |
|
MRCC_Utils
|
Save MRCC WF
|
2018-07-24 17:59:14 +02:00 |
|
mrcepa0
|
Fixed CISD
|
2018-07-30 19:17:27 +02:00 |
|
MRPT
|
Moved DavidsonDressed in plugins
|
2018-02-19 15:14:17 +01:00 |
|
MRPT_Utils
|
Fixed MRCC
|
2018-06-27 15:25:12 +02:00 |
|
NOFT
|
NOFT (#73)
|
2018-09-19 10:08:07 +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
|
Truncate eigenfnuction of S^2
|
2018-09-14 18:08:19 +02:00 |
|
Properties
|
Moved DavidsonDressed in plugins
|
2018-02-19 15:14:17 +01:00 |
|
Psiref_CAS
|
Fixed Travis
|
2018-02-27 19:13:31 +01:00 |
|
Psiref_Utils
|
Iterative sbk, broken
|
2018-05-23 18:16:33 +02:00 |
|
pyscf
|
python2
|
2018-05-07 23:43:35 +02:00 |
|
QMC
|
Merge branch 'LCPQ-master'
|
2018-06-25 12:41:22 +02:00 |
|
read_integral
|
Fixed MRCC
|
2018-06-27 15:25:12 +02:00 |
|
Selectors_CASSD
|
Comment to clarify Selectors_CASSD
|
2018-02-28 16:12:46 +01:00 |
|
Selectors_full
|
Improved parallel scaling
|
2018-09-18 00:03:39 +02:00 |
|
Selectors_no_sorted
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
Selectors_Utils
|
Fixed MPI
|
2018-09-09 12:20:33 +02:00 |
|
shiftedbk
|
Removed prints
|
2018-09-26 16:39:57 +02:00 |
|
SingleRefMethod
|
Merged scemama-master
|
2017-04-20 19:18:16 +02:00 |
|
Symmetry
|
Fixed tests
|
2018-07-27 11:04:30 +02:00 |
