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Commit 5508368f authored by Omar Valsson's avatar Omar Valsson
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Made “Ha” the only possible option for Hartree to make it consistent

parent fc4b015a
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UNITS LENGTH=Bohr TIME=atomic ENERGY=Hartree
UNITS LENGTH=Bohr TIME=atomic ENERGY=Ha
d1_bohr: DISTANCE ATOMS=1,2 NOPBC
d2_bohr: DISTANCE ATOMS=1,6 NOPBC
d1_angs: CUSTOM ARG=d1_bohr FUNC=0.52917721067*x PERIODIC=NO
......
......@@ -50,8 +50,7 @@ void Units::setEnergy(const std::string &s) {
energy=0.001;
} else if(s=="eV") {
energy=96.48530749925792;
} else if(s=="Hartree" || s =="Ha") {
energyString="Hartree";
} else if(s =="Ha") {
energy=2625.499638;
} else {
energy=-1.0;
......
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