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quantum_package/plugins
History
Anthony Scemama d807a6e7e3 Merge branch 'master' of github.com:scemama/quantum_package
2018-09-21 08:50:22 +02:00
..
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
Barycentric
2018-05-07 15:21:28 +02:00
DensityMatrix
Removed aligns
2017-11-27 10:58:32 +01:00
DFT_Utils
Revert "merge with main branch"
2017-04-20 08:48:06 +02:00
dress_zmq
Fixed variable character string
2018-09-14 19:44:55 +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
Debug ZMQ
2018-09-19 12:40:17 +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
Merged scemama-master
2017-04-20 19:18:16 +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
Truncate eigenfnuction of S^2
2018-09-14 18:08:19 +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