Clazz.declarePackage("JM.FF");
Clazz.load(["JM.FF.Calculation"], "JM.FF.MMFFESCalc", null, function(){
var c$ = Clazz.declareType(JM.FF, "MMFFESCalc", JM.FF.Calculation);
Clazz.overrideMethod(c$, "setData", 
function(calc, ia, ib, d){
if (this.calcs.minAtoms[ia].partialCharge == 0 || this.calcs.minAtoms[ib].partialCharge == 0) return;
calc.addLast( Clazz.newArray(-1, [ Clazz.newIntArray(-1, [ia, ib]),  Clazz.newDoubleArray(-1, [this.calcs.minAtoms[ia].partialCharge, this.calcs.minAtoms[ib].partialCharge, (this.calcs.minAtoms[ia].bs14.get(ib) ? 249.0537 : 332.0716)])]));
}, "JU.Lst,~N,~N,~N");
Clazz.overrideMethod(c$, "compute", 
function(dataIn){
this.getPointers(dataIn);
var f = this.dData[0] * this.dData[1] * this.dData[2];
this.calcs.setPairVariables(this);
var d = this.rab + 0.05;
this.energy = f / d;
if (this.calcs.gradients) {
this.dE = -this.energy / d;
this.calcs.addForces(this, 2);
}if (this.calcs.logging && Math.abs(this.energy) > 20) this.calcs.appendLogData(this.calcs.getDebugLine(6, this));
return this.energy;
}, "~A");
});
;//5.0.1-v2 Tue Jul 23 17:25:20 CDT 2024
