[DFTB-Plus-User] MD in liquid water

[Bálint Aradi]

Dear all,

> Do you guys really think there is a bug in the parser?

  Yes, unfortunately there is a small bug in the parser, which *could*
under certain circumstances (depending on your architecture and your
compiler) cause problems when you have "superfluos" species in your
input. I'll fix it and we'll include it in the next release. Since then,
please do not include unused species in your input. :-)

  Best wishes

    Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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