cusp correction for hydrogen

[Paul-St-Young]

No description provided.

[ye-luo]

Could you please organize both blocks of code inside if statement into subroutines?

[ye-luo]

Also document what these subroutines do.

[Paul-St-Young]

Oops, I didn't actually mean to submit a PR.
Just wanted to see the file changes on GitHub diff.

This is a pretty specialized routine to cusp correct orbitals in PW basis, but only works for hydrogen at the moment.

I may get some time over the winter break to make it nicer.
Although, if you don't think it would be generally useful, then feel free to close the PR.

[ye-luo]

Oops, I didn't actually mean to submit a PR. Just wanted to see the file changes on GitHub diff.

This is a pretty specialized routine to cusp correct orbitals in PW basis, but only works for hydrogen at the moment.

I may get some time over the winter break to make it nicer. Although, if you don't think it would be generally useful, then feel free to close the PR.

As long as the source code is well contained and this feature is well documented, I'm inclined to merge. Take your time.