molecular orbitals conversion from .movecs to .txt

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Forum Vet

12:18:49 PM PDT - Tue, May 7th 2013
I assume you compiled the mov2asc and asc2mov source code in contrib/mov2asc on the same machine as where you are running NWChem? Needed for compatibility reasons. Have you tried to run mov2asc without any arguments, to see if it actually starts? Bert