diff --git a/input.C b/input.C index 645bb503..2e829032 100644 --- a/input.C +++ b/input.C @@ -1457,7 +1457,7 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile, OneElectronArray& i = atoi(tok[1].c_str())-offset;j = atoi(tok[2].c_str())-offset;k = atoi(tok[3].c_str())-offset;l = atoi(tok[4].c_str())-offset; if (i==-1 && j==-1 && k==-1 && l==-1) { - coreEnergy += value; + coreEnergy = value; if (AOrbOffset == 0 && BOrbOffset == 0) //AA {AOrbOffset = 1; BOrbOffset = 1;} //got to BB} else if (AOrbOffset == 1 && BOrbOffset == 1) //BB @@ -1710,7 +1710,7 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile, OneElectronArray& value = atof(tok[0].c_str()); i = atoi(tok[1].c_str())-offset;j = atoi(tok[2].c_str())-offset;k = atoi(tok[3].c_str())-offset;l = atoi(tok[4].c_str())-offset; if (i==-1 && j==-1 && k==-1 && l==-1) { - coreEnergy += value; + coreEnergy = value; section += 1; } else if (RHF) { if (section == 0) { // ccdd