LIBEFP : A new parallel implementation of the effective fragment potential method as a portable software library

A new high performance parallel implementation of the general Effective Fragment Potential (EFP) method in a form of a portable software library called libefp is presented. The libefp library was designed to provide developers of various quantum chemistry software packages with an easy way to add EF...

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 34(2013), 26 vom: 05. Okt., Seite 2284-92
1. Verfasser: Kaliman, Ilya A (VerfasserIn)
Weitere Verfasser: Slipchenko, Lyudmila V
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2013
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article