MEDENS: Constrained Exponential Electron Density

MEDENS Option Code

limits on shifts during iteration ll x 1

print first n density points/layer pr n 0

sharpness control factor sh s 1

force repeated use of map file diauto if v. large map

constrain output map data fo p q rauto

p = min ln(rho)

q = max ln(rho)

r = fixed F000