DFT libraries

Popular repositories

1. xcfun Public

   XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

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2. numgrid Public

   Numerical integration grid for molecules.

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3. xcauto Public

   Arbitrary order exchange-correlation functional derivatives using JAX.

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4. xcint Public

   Exchange-correlation integrator.

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5. dftlibs.org Public

   DFT libraries website.

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6. f-a-d Public

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