interactions
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potfit supports various short and long range effective potentials. These potentials are defined either by tabulated functions or analytic parameters and are read from a potential file. The potentials supported can be found in the table below.
Since the computation of the forces is the most time-critical part of a molecular dynamics simulation, support for each type of interaction has to be enabled explicitly by a compilation option.
Interaction Table
This table shows the current progress of implementing new potential models in potfit.
{|- class=“interact” border=2
!width=“100px”|Interaction
!width=“100px”|tabulated potentials
!width=“100px”|analytic potentials
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interactions.1362054413.txt.gz · Last modified: 2013/02/28 13:26 by daniel