Closed wavefunction91 closed 11 months ago
I agree otherwise, but I think that the angular quadratures should be down a further level. The radial rules are in radial/
, so the angular rules should be in angular/
@susilehtola I realized that I hadn't pushed a commit where I had already done that (with the exception that angular
-> s2
to better reflect the domain of its integration - this code is also being used in e.g. PHF where the integration is more transparantly stated over $S^2$)
What’s PHF?
Projected HF, e.g. https://doi.org/10.1021/acs.jctc.7b00832
Projected HF, e.g. https://doi.org/10.1021/acs.jctc.7b00832
OK that's what I assumed, I just wasn't familiar with the use of quadrature grids in that approach
g2g on my part
Closes #61