David Bowler

This has been done and implemented in v1.4

This has been closed by #222

This will take a very great deal of work: the code is deeply nested and forked based on lots of different variables; simply moving the nest down is not obviously...

Yes, but also see the linked answer on how to sort out dependencies and updates: https://stackoverflow.com/questions/3236145/force-gnu-make-to-rebuild-objects-affected-by-compiler-definition

How about this? It creates a source file but from within Make (which I think is more reliable than sed!) ``` deps.obj.inc: $(SRCS_NODS) system.make touch $(COMMENT) $(ECHOSTR) "module datestamp" >...

The alternative would be to create a file `datestamp.fpp` or something which had DATE and VERSION within it, and to run that through a preprocessor to create datestamp.f90.

This has been resolved as far as I can tell.

Looking more carefully at this, it's clear that we can mix pseudopotential types when we use the neutral atom potential. However it's harder if we don't: the calculation for the...

Thanks @tsuyoshi38 I'll go ahead with some changes on this basis (but I'll add a test for mixed types and non-neutral atom).

I have noticed that the DFT-D3 paper adds parameters which can be used for D2 (r0 and c6) for elements beyond Xe. I suggest that we add these, and also...