[molpro-user] Numerical gradients

Thorsten Stolper Tho_one at gmx.de
Mon Aug 25 12:19:07 BST 2014

Dear Molpro users,

I'm having problems to get a numerical gradient calculation done during 
the maximum walltime of the calculation cluster. Since it is unlikely 
that I will get special treatment for my jobs, I wondered if there is a 
possibility to save and restart numerical gradient calculations. It 
seems to be possible with frequency calculations, but I could not find 
anything similar for gradients. Am missing something?

Any help would be highly appreciated.


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