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scafacos / scafacos

ScaFaCoS library for Fast Coulomb Solvers
http://www.scafacos.de
GNU General Public License v3.0
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To correct errors in MMM2D code #32

Closed xzhh closed 2 years ago

xzhh commented 4 years ago

This change is to patch key errors in energy calculations using MMM2D method. Changes were made for the parts of near force, far force and layer contributions, respectively.

The paper of "Compu. Phys. Commu. 148, 2002, 327-348" and MMM2D code in ESPResSoMD were taken as references.