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8 lines
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Plaintext
8 lines
367 B
Plaintext
XCFun is a library of exchange-correlation (XC) functionals to be used in
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density-functional theory (DFT) codes. XCFun follows a unique implementation
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strategy which enables the computation of derivatives of the XC functional
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kernel up to arbitrary order. It does so by relying on forward-mode automatic
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differentiation.
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WWW: https://xcfun.readthedocs.io/en/latest/
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