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Some general questions on CP-MCSCF and options related to computing 2e-integrals

GrEv
grevgen13@gmail.com


Hello,

I am interested in details of gradient calculations in the case of SA-MCSCF. Usually CP-MCSCF equations should be solved to get gradients for a particular state in the case of its SA-MCSCF description. Is this avoided in FF through the use of semi-numerical differentiation over the weight?

Another general question, is 'fastints' still used (on) for inttyp=hondo? This is somehow unclear from the manual.

Thanks!

Best regards,
Evgeniy


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