[molpro-user] SAPT(CCSD) job restart

Leonid Shirkov leonid.shirkov at gmail.com
Wed Jan 29 09:22:34 GMT 2014

Dear Colleagues,

I was trying to calculate the CCSD dispersion energy (as a part of
SAPT(CCSD)) for some small complex using inputs from the Molpro
testjobs directory.
The calculations are rather time consuming and Molpro creates huge
files like jobnameA.xchipro and jobnameB.xchipro.

Is there any way to use the files to restart the job once it was interrupted?


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