static const char* evStepOptions[evStepNr] = {"-linstep", "-accdir", "-not_used", "-radstep"};
static const char* ConstForceStr;
static real * evStepList[evStepNr];
- static real radfix = 0.0;
+ static real radstep = 0.0;
static real deltaF0 = 150;
static real deltaF = 0;
static real tau = .1;
"Stepsizes (nm/step) for fixed increment linear sampling (put in quotes! \"1.0 2.3 5.1 -3.1\")"},
{ "-accdir", FALSE, etSTR, {&evParams[1]},
"Directions for acceptance linear sampling - only sign counts! (put in quotes! \"-1 +1 -1.1\")"},
- { "-radstep", FALSE, etREAL, {&radfix},
+ { "-radstep", FALSE, etREAL, {&radstep},
"Stepsize (nm/step) for fixed increment radius expansion"},
{ "-maxedsteps", FALSE, etINT, {&edi_params.maxedsteps},
"Maximum number of steps per cycle" },
}
}
}
- else if (ev_class == evRADFIX && opt2parg_bSet(evStepOptions[ev_class], NPA, pa))
+ else if (ev_class == evRADFIX)
{
snew(evStepList[ev_class], nvecs);
for (i = 0; i < nvecs; i++)
{
- evStepList[ev_class][i] = radfix;
+ evStepList[ev_class][i] = radstep;
}
}
else if (ev_class == evFLOOD)