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GregorySchwing committed Feb 23, 2024
1 parent d24156c commit 3a282b8
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/WolfCalibrationOutput.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -341,7 +341,7 @@ void WolfCalibrationOutput::CalculateGrid() {
for (uint wolfKind = 0; wolfKind < WOLF_TOTAL_KINDS; ++wolfKind){
for (uint coulKind = 0; coulKind < COUL_TOTAL_KINDS; ++coulKind){
//statValRef.forcefield.dsf = coulKind;
statValRef.forcefield.SetWolfMethod(wolfKind,coulKind);
statValRef.forcefield.SetWolfMethod(wolfKind,coulKind);
for (uint alphaIndex = 0; alphaIndex < alphaSize[b]; ++alphaIndex) {
double alpha = wolfAlphaStart[b] + alphaIndex*wolfAlphaDelta[b];
for (uint RCutIndex = 0; RCutIndex < cutoffCoulombSize[b]; ++RCutIndex) {
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