Semiempirical method PM7

mdsimula... at gmail.com mdsimula... at gmail.com
Tue May 16 16:58:53 CEST 2017


Hi all,

Does anyone know if the semiempirical method PM7 will be added to CP2K in 
the near future?

PM7 paper: 
http://link.springer.com/article/10.1007/s00894-012-1667-x/fulltext.html

What would it take to add the method?

Thanks!
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