Lattice derivative calculation for ionKernel used in embedded mode. More...
#include <Coulomb_internal.h>
Public Member Functions | |
CoulombIonKernel_calc (double ionWidth) | |
__hostanddev__ symmetricMatrix3 | latticeGradient (const vector3< int > &iG, const matrix3<> &GGT) const |
Public Attributes | |
double | expFac |
Lattice derivative calculation for ionKernel used in embedded mode.