MOLPRO

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Oliver Stueker edited this page May 5, 2015 · 2 revisions

 * **Homepage:** http://www.molpro.net/
 * **Contact:** TBC

Datafiles structure

 * [[MOLPRO.inp]]
 * [[MOLPRO.punch]]
 * [[MOLPRO.log]]

Example files

 * ...

Existing parsers

 * good support in [[http://cclib.sourceforge.net|cclib]] (Python)
 * some support in the [[http://sourceforge.net/projects/ccp1gui/|CCP1GUI]] (Python)
 * some support in [[http://openbabel.org/|OpenBabel]] (C++)