erhart1

ping @elindgren as discussed

I think this is a sensible feature. I think the dump frequency should be a parameter that can be specified in the input file. Similarly, it could be useful to...

I think this is good change. Why not start with this version and make it more complex as demand arises?

Looks good. Will it be possible to provide multiple such commands per `run`?

The reason for asking about multiple commands was that I imagined wanting to dump both basic information for *all* atoms and additional information for a subgroup of atoms. I think...

Or does it?

Are you open to the possibility to allow multiple instances of, say, the `dump_xyz` keyword? In that case, one could include all the relevant parameters on one line. For example...

This starts to take on the character of the `fix` keyword in lammps. It should depend on the keyword, doesn't it? The "global" ensemble keywords, for example, should only be...

Sounds good.