wanglandau.ggo

purpose "Sample the Density of States by a Wang-Landau MC simulation"
args "--file-name=wl_cmdline --unamed-opts"
section "General options"
option "bins" b "Number of (equidistant) histogram bins" int default="100" optional
option "checksteps" c "Number of Wang-Landau steps before histogram is checked for flatness" longlong default="1000000" optional
option "elow" - "Lower limit of sampling window (currently n/a)" double optional
option "ehigh" - "Upper limit of sampling window (currently n/a)" double optional
option "flat" - "Flatness criterion for the histogram" float default="0.8" optional
option "info" - "Show settings" flag off
option "max" m "Upper energy bound for sampling" double optional	
option "mod" f "Final value of Wang-Landau modification factor" double optional
option "norm" n "Number of bins used for normalization" int optional
option "resolution" r "Sampling resolution (histogram bin width)" double default="0.5" optional
option "steplimit" l "Maximum number of MC steps to perform" longlong default="100000000" optional
option "seed" S "Seed for random number generation" long optional
option "Temp" T "Simulation temperature in Celsius (currently n/a)" float no
option "truedosbins" t "Number of bins at the lower range of the energy
spectrum that get overwritten by effective true DOS values (as computed by
RNAsubopt)" int optional
option "verbose" v  "Verbose output" flag off
option "debug" d "Debugging output" flag off