Anthony Scemama 1032e132a3 Fixed CASSD

2017-05-31 01:23:38 +02:00

..

All_singles

Merged scemama-master

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

analyze_wf

Merged scemama-master

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

CAS_SD

Merged scemama-master

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

CAS_SD_ZMQ

Fixed pseudos

2017-05-24 15:24:51 +02:00

Casino

Merged scemama-master

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

CASSCF

Distributed PT2

2016-02-19 00:20:28 +01:00

CID

Merged scemama-master

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

CID_SC2_selected

Merged scemama-master

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

CID_selected

Merged scemama-master

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

CIS

Merged scemama-master

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

CISD

Merged scemama-master

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

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

DDCI_selected

Merged scemama-master

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

DensityMatrix

Merged scemama-master

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

DFT_Utils

Revert "merge with main branch"

2017-04-20 08:48:06 +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

Revert "merge with main branch"

2017-04-20 08:48:06 +02:00

Full_CI

Adjusted send/receive buffers

2017-05-04 23:36:10 +02:00

Full_CI_ZMQ

Cleaning in PT2 stoch

2017-05-30 14:31:41 +02:00

Generators_CAS

Fixed selection CASSD slave

2017-05-23 19:30:51 +02:00

Generators_full

Merged scemama-master

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

Generators_restart

Merged scemama-master

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

Hartree_Fock

Merged scemama-master

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

loc_cele

Fixed for new IRPF90

2017-05-16 16:58:24 +02:00

Molden

Merged scemama-master

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

MP2

Merged scemama-master

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

MRCC_Utils

Merged scemama-master

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

mrcepa0

Fixed for new IRPF90

2017-05-16 16:58:24 +02:00

MRPT

Revert "merge with main branch"

2017-04-20 08:48:06 +02:00

MRPT_Utils

Merged scemama-master

2017-04-20 19:18:16 +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

Merge

2017-04-21 23:33:35 +02:00

Properties

Merged scemama-master

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

Psiref_CAS

Merged scemama-master

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

Psiref_Utils

Merged scemama-master

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

QmcChem

Merged scemama-master

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

qmcpack

Merge Anouar (#53)

2017-04-21 22:34:25 +02:00

read_integral

Add plugings to read the Molecular integrals

2017-05-08 16:38:51 +00:00

Selectors_CASSD

Fixed CASSD

2017-05-31 01:23:38 +02:00

Selectors_full

Fixed

2017-05-27 23:31:05 +02:00

Selectors_no_sorted

Merged scemama-master

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

SingleRefMethod

Merged scemama-master

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