Ondrej Marsalek

Isn't it just a question of the `EVAL_FORCES` keyword? It was added later (I am not sure when exactly) and defaults to false. The `EVAL_ENERGY_FORCES` keyword now has an unfortunate...

Yes, I will do this, though I might want to start with something else. Looking at the code now, I think some more general work on it might be useful....

I will start by splitting the code into general and format-specific parts. I think having our own I/O functions is certainly preferred to an external library, unless we have a...

I think we need to distinguish the automatic documentation generated based on source files and hand-written documents. With Sphinx, they can sit integrated in one website, but don't have to...

Sorry about the long silence, too many things that require my attention. I have tried the automatic documentation and I think it works reasonably well, but might need some formatting...

I will try and revive my proposal for Sphinx soon. As far as I know, Doxygen is rather clumsy for Python when it comes to extracting documentation from the code...

Some progress in #39.

Sure, I will prepare something so that we have specifics to discuss.

Dual licensing permits whoever uses your code to pick which license they like, ignoring the other. There is also some way of telling if two licenses are "compatible" - MIT...

This brings up another issue, again possibly for later. The distribution of the patches might need some care as far as licensing goes. At this point, though, perhaps we don't...