Thomas Applencourt a8edfa0490 Update qp_convert_qmcpack_to_ezfio.py

2017-07-14 22:52:27 -05:00

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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_ZMQ

Fixed ddcc1a5

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

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

Revert "merge with main branch"

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

Full_CI

Removed do_pt2_end for do_pt2

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

Full_CI_ZMQ

Update EZFIO.cfg

2017-07-11 17:15:11 -05:00

Full_CI_ZMQ_MPI

Fixed MP2_wf

2017-05-31 02:03:29 +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

Merge pull request #207 from scemama/master

2017-07-12 13:39:45 -05:00

Hartree_Fock_SlaterDressed

save

2017-07-03 15:31:03 +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

Minor changes in mp2

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

MPI

Fixed MP2_wf

2017-05-31 02:03:29 +02:00

MRCC_Utils

Merged scemama-master

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

mrcepa0

Fixed ddcc1a5

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

MRPT

Fixed travis

2017-06-03 00:21:42 +02:00

MRPT_Utils

Fixed travis

2017-06-03 00:21:42 +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

Cleaning

2017-06-26 18:27:52 +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

QMC

Update qp_convert_qmcpack_to_ezfio.py

2017-07-14 22:52:27 -05:00

qmcpack

Merged QMC modules (#208)

2017-07-12 23:58:45 +02:00

read_integral

Merge branch 'master' into master

2017-06-16 18:43:17 +02:00

Selectors_CASSD

Fixed ddcc1a5

2017-06-26 20:59:59 +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