diff --git a/src/WolfCalibrationOutput.cpp b/src/WolfCalibrationOutput.cpp index 82dc51832..1321acf61 100644 --- a/src/WolfCalibrationOutput.cpp +++ b/src/WolfCalibrationOutput.cpp @@ -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) {