integrator = steep; nsteps = 0 runs an infinite number of steps
Perhaps this is a feature, rather than a bug, and I can see why one would want to do this some times. However, the behaviour does not match up with integrator = md; nsteps = 0, for which a zero-step run is actually completed.
In any event, I could not find any documentation for this in the online or pdf manual.
#1 Updated by Erik Lindahl almost 10 years ago
I do indeed think it's a "feature"; for a while it was present for integrator=md too, but there I reverted it since I frequently use nsteps=0 for testing energies/forces.
David/Berk: Unless you protest, I think we should change it so "0" means a single potential evaluation,but no steps, and use e.g. "-1" to mean "run forever".
#2 Updated by Chris Neale almost 10 years ago
I think that is a great idea. It would be even better if this became generally true such that md, bd, and sd also run forever if nsteps=-1 (not currently possible as far as I know) and simply do the energy evaluation with no steps if nsteps=0 (currently true).