Refactor: the ccp parameters to support additional Coulomb matrix construction methods. #6307
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merge from ESROAMER:no_force
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@1041176461 Hi, I am curious about the technique you perform NAO2GTO, is it based on a kind of nonlinear regression? Thanks |
I didn’t implement NAO2GTO; it was just an example. |
mohanchen
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Jun 19, 2025
mohanchen
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Jun 19, 2025
mohanchen
added
EXX and lr-TDDFT
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Refactor the CCP parameter framework to support Coulomb matrix construction methods beyond the two-center integral approach in EXX calculations, such as NAO2GTO and upcoming Ewald summation.