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Add EPC Functionals to ExchCXX #35

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aodongliu opened this issue Dec 1, 2023 · 0 comments
Open

Add EPC Functionals to ExchCXX #35

aodongliu opened this issue Dec 1, 2023 · 0 comments

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@aodongliu
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As GauXC prepares for the addition of nuclear-electronic orbital (NEO) method, electron proton functionals (epc) need to be added in ExchCXX. API needs to be written for the epc functionals to interface with Libxc (which has epc17 and 18 implemented).
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