===== makeapot ===== ---- Generate analytic potential files for //potfit// from scratch. usage: makeapot [-h] [-n N] [-co CUTOFF] [-g] [-r] [-i TYPE] [-l] [-cp] [-f [FUNCTIONS [FUNCTIONS ...]]] Create an analytic potential file for potift. optional arguments: -h, --help show this help message and exit -n N number of atoms types, runs from 0 to N-1 -co CUTOFF, --cutoff CUTOFF cutoff radius -g use global cutoff parameter -r, --random randomize the starting potential -i TYPE, --type TYPE interaction type, e.g. pair, eam, adp, ... -l, --list list options which are available -cp enable chemical potentials (only for pair) -f [FUNCTIONS [FUNCTIONS ...]] name of potential functions, either name or i*name, where i=1,2,3,...