[molpro-user] FORCES

Jeremy Merritt merritjm at unc.edu
Wed May 11 17:39:06 BST 2005


Dear Molpro Users,
Is there any way to call the forces command limited to only a specific variable, or variables?  The default always calculates the gradient for all variables in my system which wastes alot of time.  Note, for my specific application I cannot put the numerical values in the Z-matrix, which otherwise would do the trick.  Thanks
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