The amount of information printed can be controlled through the keywords GRADIENTS, VECTORS, EFSTEPS, VALUES, SUMMARY, and DEBUG as described in §3. Some useful aliases to interrogate output files are:

alias energy $ '$grep $ ''$Energy for last$ ''$ output!$ \star$$ '$
alias unscaled $ '$grep unscaled output!$ \star$$ '$
alias RMS $ '$grep RMS output!$ \star$$ '$
alias pgroup $ '$grep group output!$ \star$$ '$
alias negative $ '$grep negative output!$ \star$$ '$

David Wales 2017-09-25