Anthony Scemama f52e877f7c CISD save energy

2015-09-11 15:30:44 +02:00

..

Alavi

Epic merge for the doc...

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

CAS_SD

CISD save energy

2015-09-11 15:30:44 +02:00

Casino

Epic merge for the doc...

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

CID

Epic merge for the doc...

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

CID_SC2_selected

Epic merge for the doc...

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

CID_selected

Epic merge for the doc...

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

CIS

CISD save energy

2015-09-11 15:30:44 +02:00

CISD

CISD save energy

2015-09-11 15:30:44 +02:00

CISD_SC2_selected

MRCC is ok with selected excitation operators

2015-07-20 14:19:11 +02:00

CISD_selected

CISD save energy

2015-09-11 15:30:44 +02:00

DDCI_selected

MRCC is ok with selected excitation operators

2015-07-20 14:19:11 +02:00

DensityMatrix

Fix README and graphiz

2015-07-16 10:40:57 +02:00

FCIdump

CISD save energy

2015-09-11 15:30:44 +02:00

Full_CI

CISD save energy

2015-09-11 15:30:44 +02:00

Generators_CAS

CISD save energy

2015-09-11 15:30:44 +02:00

Generators_full

MRCC Manu

2015-09-08 15:29:05 +02:00

Generators_restart

Fix README and graphiz

2015-07-16 10:40:57 +02:00

Hartree_Fock

MRCC Manu

2015-09-08 15:29:05 +02:00

loc_cele

MRCC is ok with selected excitation operators

2015-07-20 14:19:11 +02:00

Molden

MRCC is ok with selected excitation operators

2015-07-20 14:19:11 +02:00

MP2

Epic merge for the doc...

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

MRCC_CASSD

CISD save energy

2015-09-11 15:30:44 +02:00

MRCC_Utils

CISD save energy

2015-09-11 15:30:44 +02:00

MRCC_Utils_new

Changed psi_svd into psi_bilinear

2015-07-30 16:05:28 +02:00

Perturbation

CISD save energy

2015-09-11 15:30:44 +02:00

Properties

Fix error in doc path

2015-07-28 17:31:54 +02:00

Psiref_CAS

CISD save energy

2015-09-11 15:30:44 +02:00

Psiref_threshold

Cleaned MRCC in MRCC_Utils

2015-07-13 18:00:38 +02:00

Psiref_Utils

CISD save energy

2015-09-11 15:30:44 +02:00

QmcChem

CISD save energy

2015-09-11 15:30:44 +02:00

Selectors_full

Fix error in doc path

2015-07-28 17:31:54 +02:00

Selectors_no_sorted

Fix README and graphiz

2015-07-16 10:40:57 +02:00

SingleRefMethod

CISD save energy

2015-09-11 15:30:44 +02:00