deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Test: add unit test for lebedev quadrature #5513

Closed jinzx10 closed 1 week ago

jinzx10 commented 1 week ago

Linked Issue

As mentioned in #5470, we need at least ~6000 lines of unit testing coverage, and in particular, the lebedev-laikov grid code, which has ~5000 lines of code, is not covered by any test.

This PR adds an accuracy test to the Lebedev-Laikov grid and should be able to add ~5000 lines of coverage.

Unit Tests and/or Case Tests for my changes