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Contents of README:XCFun is a library of exchange-correlation (XC) functionals to be used in density-functional theory (DFT) codes. XCFun follows a unique implementation strategy which enables the computation of derivatives of the XC functional kernel up to arbitrary order. It does so by relying on forward-mode automatic differentiation. |
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Parent Directory - README 08-Oct-2022 04:17 324 libXCFun.SlackBuild 08-Oct-2022 04:17 3.4K libXCFun.info 08-Oct-2022 04:17 310 slack-desc 08-Oct-2022 04:17 1.0K
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