wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses
BSD 3-Clause "New" or "Revised" License
13 stars 9 forks source link

Improve Robustness of Quadrature Unit Tests #64

Closed wavefunction91 closed 1 year ago

wavefunction91 commented 1 year ago

In particular, each of the primitive quadratures are guaranteed to produce exact integrals for polynomials of a particular order subject to a particular weight function. This can be tested directly by randomly generating polnomials for the unit tests.

For the radial quadratures, each ansatz was designed to integrate function of a specific form (e.g. radial integrands). These tests should be updated to test these classes of functions.

wavefunction91 commented 1 year ago

Closed by #65