D3::PairParams Struct Reference

Parameter set per pair of atom types. More...

#include <VanDerWaalsD3.h>

Public Attributes
double	R0
	sum of cutoff radii for pair of atoms (in bohrs)
matrix	C6
	C6 coefficients at all pairs of reference CN's of the two atom types.

Detailed Description

Parameter set per pair of atom types.

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The documentation for this struct was generated from the following file:

• electronic/VanDerWaalsD3.h