Dear all,

With respect to the previous threads(from Peter Wirnsberger) regarding the implementation of the Wolf Summation, it was said that the equation 5.13 (D. Wolf, P. Keblinski, S. R. Phillpot, J. Eggebrecht, J Chem Phys, 110, 8254 (1999)) is implemented in the code, whereas I could see equation 5.11(shifted or charge-neutralized Ewald potential) and 5.12 (Self term) have been implemented, but for attaining the equation 5.13 the 5.11 has to be multiplied by a factor of 0.5.

If I miss something, kindly clarify me.

Thank you,

Srinivasan