Commit 4bbd1d83 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Extract outer shell radius as INCLUSION particle radius

parent 0ab0ec15

src/libnptm/Configuration.cpp

+1 −1
Original line number Diff line number Diff line
@@ -1165,7 +1165,7 @@ double ScattererConfiguration::get_min_radius() { 
double ScattererConfiguration::get_particle_radius(GeometryConfiguration *gc) {

  double result = 0.0;

  if (_use_external_sphere) {

    result = _radii_of_spheres[0] * _rcf[0][_nshl_vec[0] - 1];

    result = _radii_of_spheres[0] * _rcf[0][_nshl_vec[0]];

  } else {

    double dist2, max_dist;

    double max_dist2 = 0.0;