Emmanuel Giner 7fb1132b86 strange things in MRPT

2017-03-24 22:49:59 +01:00

..

Alavi

Epic merge for the doc...

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

All_singles

Merge branch 'master' into master

2017-01-19 16:10:32 -06:00

CAS_SD

Merge pull request #176 from scemama/master

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

CAS_SD_ZMQ

Update selection.irp.f

2017-01-25 20:19:34 -06:00

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

minor modifs in FOBOCI

2017-03-20 16:21:00 +01:00

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

debugging FOBOCI

2017-03-16 21:21:27 +01:00

FOBOCI

minor modifs in FOBOCI

2017-03-20 16:21:00 +01:00

Full_CI

Minor changes

2017-03-20 17:27:23 +01:00

Full_CI_ZMQ

Update selection.irp.f

2017-01-25 20:14:11 -06:00

Generators_CAS

Fixed the perturbation with psi_ref instead of psi_det

2016-11-25 23:07:45 +01:00

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

Update documetation...

2016-11-01 17:07:55 -05:00

loc_cele

debugging FOBOCI

2017-03-16 21:21:27 +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

Accelerated MRSC2

2016-11-30 21:20:36 +01:00

MRCC_Utils

Minor changes

2017-03-20 17:27:23 +01:00

mrcepa0

merged files

2017-03-20 16:34:57 +01:00

MRPT

minor changes

2017-03-24 22:31:06 +01:00

MRPT_Utils

strange things in MRPT

2017-03-24 22:49:59 +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

merged files

2017-03-20 16:34:57 +01:00

Properties

Merge with Dr. Giner

2016-11-02 21:46:12 +01:00

Psiref_CAS

merged files

2017-03-20 16:34:57 +01:00

Psiref_threshold

Fixed mrcc_selected

2016-11-29 17:54:10 +01:00

Psiref_Utils

Merge pull request #176 from scemama/master

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

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

SCF_density

Added SCF_density

2017-03-16 21:21:45 +01:00

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