Scine::Swoose
2.1.0
This is the SCINE module Swoose.
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Class treating non-bonded electrostatic interaction, based solely on the bond length. (i.e. in 1 dimension) More...
#include <Electrostatic.h>
Public Member Functions | |
Electrostatic (double scalingFactor) | |
Constructor. More... | |
Utils::AutomaticDifferentiation::Second1D | getInteraction (double distance, double charge1, double charge2) const |
This function calculates the electrostatic energy and its derivatives for two point charges at a certain distance. | |
Class treating non-bonded electrostatic interaction, based solely on the bond length. (i.e. in 1 dimension)
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explicit |
Constructor.
scalingFactor | Scaling factor for the electrostatic interaction. |