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Alternative NBO code / moden-format

PeterP
peter.pyridin@gmx.de


Dear all,


I recently came across an alternative code for "Natural Bonding Analysis" known as JANPA package, based on Java. Here is the original paper by Nikolaienko and coworkers :  
DOI: 10.1016/j.comptc.2014.10.002 and this the website: https://sourceforge.net/p/janpa/wiki/Home/ .

The point is, they need molden-style input formats for their java-prgroam. They added a tool to convert NWChem and ORCA results to molden-format file but I am rather interested in how to do so with Firefly output-files oder GAMESS-US log-files.

Here's a description what the molden-format is: http://www.cmbi.ru.nl/molden/molden_format.htmlhttp://www.cmbi.ru.nl/molden/molden_format.html



Any ideas how to do that easily ?


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