Anthony Scemama fc5f0b9745 mpif.h

2017-11-27 09:58:48 +01:00

..

All_singles

Modifs Manus

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

analyze_wf

Minor changes

2017-10-16 15:06:24 +02:00

CAS_SD_ZMQ

MPI test is OK

2017-11-23 10:35:13 +01:00

Casino

Merged scemama-master

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

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

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

Merge http://github.com/scemama/quantum_package

2017-10-27 12:21:45 +02:00

FourIdx

Fixed Slater's Rules

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

Full_CI

Removed do_pt2_end for do_pt2

2017-06-26 19:12:44 +02:00

Full_CI_ZMQ

Fixed MPI parallelism

2017-11-27 00:09:25 +01:00

Full_CI_ZMQ_GPI2

Working on GPI2

2017-07-22 13:33:28 +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

GPI2

fixed travis

2017-08-15 18:40:28 +02:00

Hartree_Fock

Merge http://github.com/scemama/quantum_package

2017-10-27 12:21:45 +02:00

Hartree_Fock_SlaterDressed

save

2017-07-03 15:31:03 +02:00

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

Minor changes in mp2

2017-05-31 02:34:54 +02:00

MPI

mpif.h

2017-11-27 09:58:48 +01:00

MR_wf_analysis

Modifs Manus

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

MRCC_Utils

Merged scemama-master

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

mrcepa0

not very efficient but working mrsc2

2017-10-06 13:05:57 +02:00

MRPT

Fixed AOs to MOs

2017-09-11 23:48:52 +02:00

MRPT_Utils

Fixed AOs to MOs

2017-09-11 23:48:52 +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

Modifs Manus

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

Properties

Modifs Manus

2017-10-27 12:20:00 +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

QMC

Faster four idx transformation

2017-10-13 17:32:40 +02:00

read_integral

read_integrals

2017-09-26 14:54:18 +02:00

Selectors_CASSD

Fixed ddcc1a5

2017-06-26 20:59:59 +02:00

Selectors_full

Fixed MPI parallelism

2017-11-27 00:09:25 +01:00

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