PROFASI
Version 1.5
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Power law with a small distance cut. More...
#include <RestraintFunction.hh>
Public Member Functions | |
int | set_pars (prf_xml::XML_Node *pars) |
Set parameters form an XML node. | |
double | operator() (double x) |
Evaluate the function for a given value of the coordinate. | |
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RestraintFunction () | |
Default constructor. | |
virtual double | estimate_max (double scale_large) |
Estimate a maximum based on some "large" scale. | |
virtual double | estimate_min () |
Estimate a minimum. | |
If the distance is greater than what would be the mean for the power law, it is equivalent to the power law. But if the atoms are closer, the potential does not grow but stays at 0.
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virtual |
The node must be called parameters
. It must have a field called mean
and another called weight
. These fields are inheritted by all other restraint functions, so they don't need their own.
Reimplemented from prf::RestraintFunction.