[Openmd-users] Update

[Dan Gezelter]

> 
>  You had me worried, so I just checked by printing out inside the LJ code that calculates the potential.  With cutoffRadius and switchingRadius set to the same value, and electrostaticSummationMethod set to "SHIFTED_FORCE", you do indeed get the shifted LJ potential.


Clarification:  You get the FORCE-shifted LJ potential.   V(r) = V_{LJ}(r) - V_{rcut} -  V'_{LJ}(rcut) * (r - rcut)

 --D

***********************************************
  J. Daniel Gezelter
  Associate Professor of Chemistry
  Director of Graduate Admissions
  Department of Chemistry and Biochemistry
  251 Nieuwland Science Hall
  University of Notre Dame
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  phone:  +1 (574) 631-7595
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