[molpro-user] MRCC and Molpro
pete.biggs at chem.ox.ac.uk
Fri May 7 17:53:40 BST 2010
I'm trying to get MRCC working with Molpro and am not getting very far.
The Molpro manual doesn't seem to match up with anything I have either
for Molpro or MRCC!
The Molpro license I've got is a binary only one and I can't see anyway
of telling Molpro where the MRCC executables are. I've tried putting
the directory in $PATH, and tried looking in any of the .registry files
to see if there is anything sensible.
Any hints anyone can give me?
Pete Biggs pete.biggs @ chem.ox.ac.uk
Office: 01865 275490
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