Refactor: the initialization scheme in LRI_CV #6363
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1041176461
commented
Jul 7, 2025
1041176461
commented
- reduce the initialization frequency of Gaunt coefficients in LRI_CV
- the truncation radius criterion is generalized beyond numerical atomic orbitals, thereby enabling seamless integration of LRI_CV with Gaussian-type basis within the upcoming Ewald summation framework.
mohanchen
approved these changes
Jul 8, 2025
mohanchen
added
EXX and lr-TDDFT
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