Yann Garniron b177ee3f51 missing files + small optimisation

2018-02-22 13:41:11 +01:00

..

All_singles

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

analyze_wf

Bug in analyze_wf

2017-12-04 10:31:54 +01:00

CAS_SD_ZMQ

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

Casino

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

CID

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

CID_SC2_selected

Merged scemama-master

2017-04-20 19:18:16 +02:00

CID_selected

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

CIS

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

CISD

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

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

DavidsonDressed

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

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

missing files + small optimisation

2018-02-22 13:41:11 +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

Removed aligns

2017-11-27 10:58:32 +01:00

FourIdx

Fixed Slater's Rules

2017-10-05 18:48:38 +02:00

Full_CI

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

Full_CI_ZMQ

working but super slow mrcc_sto

2018-02-20 15:51:53 +01:00

Full_CI_ZMQ_GPI2

Working on GPI2

2017-07-22 13:33:28 +02:00

Generators_CAS

Fixed travis

2018-01-05 18:15:34 +01:00

Generators_full

Fixed multi-state

2018-01-10 18:55:08 +01:00

Generators_restart

Fixed travis

2018-01-05 18:15:34 +01:00

GPI2

Fixes #223

2018-01-12 21:42:37 +01:00

Hartree_Fock

Merge branch 'master' of github.com:scemama/quantum_package

2018-01-10 19:11:08 +01:00

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

Removed parallelism in old selection

2017-12-08 10:48:09 +01:00

MR_wf_analysis

Modifs Manus

2017-10-27 12:20:00 +02:00

mrcc_sto

missing files + small optimisation

2018-02-22 13:41:11 +01:00

MRCC_Utils

Generalized Davdison for dressed methods

2018-02-08 17:48:47 +01:00

mrcepa0

working but super slow mrcc_sto

2018-02-20 15:51:53 +01:00

MRPT

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

MRPT_Utils

Removed output variables

2018-01-05 14:38:32 +00:00

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

Fixed double declaration of dressing vector

2018-02-09 16:06:57 +01:00

Properties

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

Psiref_CAS

Missing file

2018-02-09 15:55:21 +01:00

Psiref_Utils

Merged scemama-master

2017-04-20 19:18:16 +02:00

QMC

Moved DavidsonDressed in plugins

2018-02-19 15:14:17 +01:00

read_integral

Fixes #223

2018-01-13 18:15:12 +01:00

Selectors_CASSD

Removed aligns

2017-11-27 10:58:32 +01:00

Selectors_full

Removed output variables

2018-01-05 14:38:32 +00:00

Selectors_no_sorted

Fixed travis

2018-01-05 18:15:34 +01:00

Selectors_Utils

Removed output variables

2018-01-05 14:38:32 +00:00

SingleRefMethod

Merged scemama-master

2017-04-20 19:18:16 +02:00

Symmetry

Fixed travis

2018-01-05 18:15:34 +01:00