Jonathan Yates

Coming back to this 18months later, I see that this fix is no longer enough as ` lattice = Lattice.from_lengths_and_angles(*lengths_and_angles)` has now been removed. Replacing this call with ``` lattice...

First draft of the documentation is done. All modules have a description. So do all subroutines with the exception of sitesymmetry and transport. Most of the module variables and subroutine...

I agree that we remove it. However, unfortunately the module usage graphs are wrong in FORD - as it only reports modules that are globally used in a module (so...

At the moment we translate only the centres, and this leaves the output (e.g. U matrices, r^2, H_r) inconsistent. This is an issue for PythonTB see http://www.physics.rutgers.edu/pythtb/usage.html#pythtb.w90

I agree with the python bindings. I don't have direct experience of doing this - but it is worth looking at https://github.com/jameskermode/f90wrap . I think the author of f90wrap would...

Samuel - apologies for the delay in looking at this PR. Could you let us know if you would still like this merged (and maybe answer Giovanni's question). If so...

The parallelization of the core routines also needs accounting for (probably there is redundant memory). We also need to consider if the memory estimate should give the total memory, or...

Your second message shows us that nntot has an unphysical value. I have never seen this happen before so either: there is an issue with your compilation of wannier90 or...

This comes from the generic parsing routine get_range_vector. The three valid separators are ' ', ',' ';' So `exclude_bands : 2, 6 -8, 12` is interpreted the same as `exclude_bands...

We don't have enough info to reproduce - and I suspect this is a local compilation issue.