Commit 3e57bf37 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Fix dielectric constant scale dependence in single sphere case

parent 31f75f44

src/sphere/sphere.cpp

+2 −1
Original line number Diff line number Diff line
@@ -312,11 +312,12 @@ void sphere(const string& config_file, const string& data_file, const string& ou 
	    }

	    continue; // i132

	  }

	  // label 125

	  int nsh = c1->nshl[i132];

	  int ici = (nsh + 1) / 2;

	  if (idfc == 0) {

	    for (int ic = 0; ic < ici; ic++)

	      c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132, 0); // WARNING: IDFC=0 is not tested!

	      c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132, jxi488); // WARNING: IDFC=0 is not tested!

	  } else { // IDFC != 0

	    if (jxi == 1) {

	      for (int ic = 0; ic < ici; ic++) {