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theochem/grid

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About

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.

grid.qcdevs.org/

Topics

python integration interpolation computational-chemistry quantum-chemistry partial-differential-equations quadrature clenshaw-curtis numerical-integration coordinate-transformation numerical-differentiation cubature quantum-chemistry-packages lebedev

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License

LGPL-3.0 license

Code of conduct

Code of conduct
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Releases 6

v0.0.9: Merge pull request #257 from theochem/fix_name Latest
Nov 1, 2024
+ 5 releases

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