Add lattice rules for (hyper)cubic grid integration#293
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- Implement Lattice class with rank-1 lattice rules - Support embedded lattice rules (powers of 2) - Include tabulated generating vectors from UNSW (Order-2 weights) - Add comprehensive test suite (25 tests, all passing) - Support arbitrary parallelepipeds via affine transformation - Addresses issue theochem#241
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@marco-2023 we should maybe talk about this next week? |
…ts, change tolerance,override __getitem__
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The Windows CI failure (
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… add tests, change tolerance,override __getitem__" This reverts commit 8a27314.
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After looking into it more the CI failure was actually caused by the additional tests I added in that commit specifically |

This PR implements lattice rules for efficient numerical integration over (hyper)cubic grids, addressing issue #241 .
Following the references provided in the issue (Sloan's paper and the UNSW lattice rules database), I've implemented rank-1 lattice rules as a new integration method.
Implementation :
scipy.interpolate.LinearNDInterpolatorTesting: