Syntax

MINImize

POWEll { $<$minimize-powell-statement$>$ } END is invoked from the main level of X-PLOR.

$<$minimize-powell-statement$>$ :==

DROP=$<$real$>$

designates the expected initial drop in energy (default: 0.001). Experience has shown that values between 10 and 100 work best.

NPRInt=$<$integer$>$

is the frequency of the energy printout (default: 1).

NSTEp=$<$integer$>$

is the maximum number of minimization cycles (default: 500).

TOLGradient=$<$real$>$

stops minimization if the norm of the gradient of $E_{TOTAL}$ is smaller than the specified number (default: 0.0001).