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quantum_package/plugins
History
Anthony Scemama f04e6619a5 Memory allocation bug in Huckel guess corrected
2015-09-22 13:35:42 +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
Tests OK again.
2015-09-19 02:00:26 +02:00
CISD_SC2_selected
MRCC is ok with selected excitation operators
2015-07-20 14:19:11 +02:00
CISD_selected
OpenMP reduction bug for large systems solved
2015-09-22 13:05:42 +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
Merge branch 'master' of lpqlx139:quantum_package
2015-09-22 09:36:41 +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
Memory allocation bug in Huckel guess corrected
2015-09-22 13:35:42 +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
OpenMP reduction bug for large systems solved
2015-09-22 13:05:42 +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