mold.JGFinitialise();
}
JGFMolDynBench.JGFapplication(mold);
- atomic {
- mold.JGFvalidate();
- }
/* Validate data */
double[] refval = new double[2];
dval = mold.ek[0];
}
double dev = Math.fabs(dval - refval[size]);
- if (dev > 1.0e-10 ){
+ long l = (long) refval[size] *1000000;
+ long r = (long) dval * 1000000;
+ if (l != r ){
System.printString("Validation failed\n");
System.printString("Kinetic Energy = " + (long)dval + " " + (long)dev + " " + size + "\n");
}