Anthony Scemama 2e65943c0b Bug corrected in selection tasks

2017-04-14 12:04:21 +02:00

..

Alavi

Epic merge for the doc...

2015-07-16 15:44:51 +02:00

All_singles

Solved MRPT_Utils problem

2016-12-12 21:26:01 +01:00

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

Bug corrected in selection tasks

2017-04-14 12:04:21 +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

DDCI_selected

Extracting davidson from slater rules

2016-09-20 17:29:02 +02:00

DensityMatrix

Fix README and graphiz

2015-07-16 10:40:57 +02:00

DFT_Utils

Modifs of fobo-scf

2016-07-16 16:09:50 +02:00

Dressed_Ref_Hamiltonian

Added OVB_effective_Hamiltonian

2016-02-17 12:22:45 +01:00

FCIdump

Extracting davidson from slater rules

2016-09-20 17:29:02 +02:00

FOBOCI

logical comparisons with .eqv.

2016-11-14 19:33:17 +01:00

Full_CI

Merge pull request #176 from scemama/master

2016-11-16 18:15:01 -06:00

Full_CI_ZMQ

Bug corrected in selection tasks

2017-04-14 12:04:21 +02:00

Generators_CAS

--amend

2016-09-22 12:15:20 +02:00

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

logical comparisons with .eqv.

2016-11-14 19:33:17 +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

Inactives deactivated in MRCC

2017-04-13 00:47:44 +02:00

mrcepa0

Inactives deactivated in MRCC

2017-04-13 00:47:44 +02:00

MRPT

Cleaned MRPT

2016-11-04 22:31:55 +01:00

MRPT_Utils

pedantic changes

2017-04-12 19:29:21 +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

Merge pull request #176 from scemama/master

2016-11-16 18:15:01 -06:00

Properties

pedantic changes

2017-04-12 19:29:21 +02:00

Psiref_CAS

Repaired selection

2017-01-30 09:38:04 +01:00

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

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