Anthony Scemama 87e00d415b

mrcc_zmq updated for recent changes (#57)

2017-12-18 09:34:06 +01:00

..

All_singles

Modifs Manus

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

analyze_wf

Bug in analyze_wf

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

CAS_SD_ZMQ

Added ZMQ 4idx

2017-12-05 18:54:10 +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

CIS doesn't read wf

2017-12-06 19:22:52 +01:00

CISD

Fixed CISD

2017-11-29 10:06:55 +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

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

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

Fixed old FCI:

2017-12-08 17:07:28 +01:00

Full_CI_ZMQ

Cleaning

2017-12-08 09:45:18 +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

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_Utils

MRCC merge with garniroy, broken

2017-12-04 12:04:46 +01:00

mrcepa0

mrcc_zmq updated for recent changes (#57)

2017-12-18 09:34:06 +01:00

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

qdpt test

2017-11-28 17:11:44 +01:00

Properties

Revert 4idx

2017-12-08 16:17:54 +01:00

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

Fixed travis

2017-11-27 13:43:05 +01:00

read_integral

Removed aligns

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

Selectors_CASSD

Removed aligns

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

Selectors_full

Removed aligns

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

Selectors_no_sorted

Removed aligns

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

Selectors_Utils

Parallelism OK with 50 nodes

2017-11-29 19:10:27 +01:00

SingleRefMethod

Merged scemama-master

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