diff --git a/src/tools/Units.cpp b/src/tools/Units.cpp index a5057c17d0cc7202207c00df60d201d4c8fca966..a8a756616886ba4be95c9dd01e4dcb2352b5cbc8 100644 --- a/src/tools/Units.cpp +++ b/src/tools/Units.cpp @@ -44,6 +44,8 @@ void Units::setEnergy(const std::string &s){ energy=4.184; } else if(s=="j/mol"){ energy=0.001; + } else if(s=="eV"){ + energy=96.48530749925792; } else { energy=-1.0; energyString="";