molecular orbitals conversion from .movecs to .txt

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7:51:48 AM PDT - Mon, May 13th 2013
Quote:Bert May 7th 12:18 pm 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 Thank you for your reply! I used the computer cluster to run the code, and I found I couldn't access to the source code. I think I can install the nwchem package on my own pc to do this conversion operation. Thanks again.

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