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B..2.12 Additional gradient theories: CCSD, DF-MP2, DF-CASSCF, DF-RS2

New analytical gradient codes are now available for DF-MP2, DF-CASSCF, DF-RS2 (including MS and XMS options, also without density fitting), and for CCSD.



molpro@molpro.net 2018-07-17