--- trunk/OOPSE-4/forceFields/EAM.frc 2005/01/11 16:24:37 1922 +++ trunk/OOPSE-4/forceFields/EAM.frc 2005/01/11 16:36:50 1923 @@ -3,12 +3,20 @@ ! There is only a section for AtomTypes which defines mass and the name ! of the file which contains the rho(r), phi(r) and F[rho] functions. -#AtomTypes -!Atom mass Potential param filename +begin AtomTypes +Au 196.97 +Ag 107.87 +Cu 63.550 +Ni 58.710 +Pd 106.40 +Pt 195.09 +end AtomTypes -Au 196.97 Au.u3.funcfl -Ag 107.87 Ag.u3.funcfl -Cu 63.550 Cu.u3.funcfl -Ni 58.710 Ni.u3.funcfl -Pd 106.40 Pd.u3.funcfl -Pt 195.09 Pt.u3.funcfl +begin EAMAtomTypes +Au Au.u3.funcfl +Ag Ag.u3.funcfl +Cu Cu.u3.funcfl +Ni Ni.u3.funcfl +Pd Pd.u3.funcfl +Pt Pt.u3.funcfl +end EAMAtomTypes