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Alavi
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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CAS_SD
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Added CAS+S
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2015-11-25 11:49:42 +01:00 |
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Casino
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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CASSCF
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optimized
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2015-12-18 12:07:49 +01:00 |
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CID
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Shells in README
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2015-11-08 21:37:50 +01:00 |
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CID_SC2_selected
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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CID_selected
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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CIS
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CISD save energy
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2015-09-11 15:30:44 +02:00 |
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CISD
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Shells in README
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2015-11-08 21:37:50 +01:00 |
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CISD_SC2_selected
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Shells in README
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2015-11-08 21:37:50 +01:00 |
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CISD_selected
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Corrected bug in CISD selected
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2015-11-30 14:54:37 +01:00 |
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DDCI_selected
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Shells in README
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2015-11-08 21:37:50 +01:00 |
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DensityMatrix
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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FCIdump
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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Full_CI
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Shells in README
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2015-11-08 21:37:50 +01:00 |
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Generators_CAS
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minilist primitive/tri par alpha en cours
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2015-10-16 13:06:19 +02:00 |
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Generators_full
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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Generators_restart
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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Hartree_Fock
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AO integrals with ZeroMQ
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2015-12-01 16:32:01 +01:00 |
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loc_cele
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Shells in README
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2015-11-08 21:37:50 +01:00 |
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Molden
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Update readme
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2015-11-08 21:02:55 +01:00 |
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MP2
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Added EZFIO.cfg of MP2 module
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2015-11-25 10:36:10 +01:00 |
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MRCC_CASSD
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Update readme
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2015-11-08 21:02:55 +01:00 |
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MRCC_Utils
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some cleaning in MRCC_dress
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2015-12-02 12:25:50 +01:00 |
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MRCC_Utils_new
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Changed psi_svd into psi_bilinear
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2015-07-30 16:05:28 +02:00 |
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Perturbation
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removed merdge - buffer size = 8192
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2015-12-30 11:35:06 +01:00 |
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Properties
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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Psiref_CAS
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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Psiref_threshold
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Cleaned MRCC in MRCC_Utils
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2015-07-13 18:00:38 +02:00 |
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Psiref_Utils
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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QmcChem
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LinearAlgebra
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2015-11-30 20:57:41 +01:00 |
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Selectors_full
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
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Selectors_no_sorted
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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SingleRefMethod
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Added target_pt2_qmc
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2015-10-19 17:28:08 +02:00 |
