Yann Garniron 27748e81d5 some cleaning in MRCC_dress

2015-12-02 12:25:50 +01:00

..

Alavi

Epic merge for the doc...

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

CAS_SD

Added CAS+S

2015-11-25 11:49:42 +01:00

Casino

Epic merge for the doc...

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

CASSCF

Added CAS-SCF module

2015-11-30 19:36:18 +01:00

CID

Shells in README

2015-11-08 21:37:50 +01:00

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

Shells in README

2015-11-08 21:37:50 +01:00

CISD_SC2_selected

Shells in README

2015-11-08 21:37:50 +01:00

CISD_selected

Corrected bug in CISD selected

2015-11-30 14:54:37 +01:00

DDCI_selected

Shells in README

2015-11-08 21:37:50 +01:00

DensityMatrix

Fix README and graphiz

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

FCIdump

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00

Full_CI

Shells in README

2015-11-08 21:37:50 +01:00

Generators_CAS

minilist primitive/tri par alpha en cours

2015-10-16 13:06:19 +02:00

Generators_full

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00

Generators_restart

Fix README and graphiz

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

Hartree_Fock

AO integrals with ZeroMQ

2015-12-01 16:32:01 +01:00

loc_cele

Shells in README

2015-11-08 21:37:50 +01:00

Molden

Update readme

2015-11-08 21:02:55 +01:00

MP2

Added EZFIO.cfg of MP2 module

2015-11-25 10:36:10 +01:00

MRCC_CASSD

Update readme

2015-11-08 21:02:55 +01:00

MRCC_Utils

some cleaning in MRCC_dress

2015-12-02 12:25:50 +01:00

MRCC_Utils_new

Changed psi_svd into psi_bilinear

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

Perturbation

Corrected bug for large PT2

2015-11-27 15:20:15 +01:00

Properties

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00

Psiref_CAS

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00

Psiref_threshold

Cleaned MRCC in MRCC_Utils

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

Psiref_Utils

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00

QmcChem

LinearAlgebra

2015-11-30 20:57:41 +01:00

Selectors_full

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00

Selectors_no_sorted

Fix README and graphiz

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

SingleRefMethod

Added target_pt2_qmc

2015-10-19 17:28:08 +02:00