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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