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Commit 3e57bf37 authored by Giovanni La Mura's avatar Giovanni La Mura
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Fix dielectric constant scale dependence in single sphere case

parent 31f75f44
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src/sphere/sphere.cpp
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...@@ -312,11 +312,12 @@ void sphere(const string& config_file, const string& data_file, const string& ou ...@@ -312,11 +312,12 @@ void sphere(const string& config_file, const string& data_file, const string& ou
} }
continue; // i132 continue; // i132
} }
// label 125
int nsh = c1->nshl[i132]; int nsh = c1->nshl[i132];
int ici = (nsh + 1) / 2; int ici = (nsh + 1) / 2;
if (idfc == 0) { if (idfc == 0) {
for (int ic = 0; ic < ici; ic++) 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 } else { // IDFC != 0
if (jxi == 1) { if (jxi == 1) {
for (int ic = 0; ic < ici; ic++) { for (int ic = 0; ic < ici; ic++) {
......
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