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add notes for Ewald_Vq
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source/module_ri/ewald_Vq.h

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@@ -21,6 +21,18 @@
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template <typename Tdata>
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class Ewald_Vq
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{
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/**
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* @brief The Ewald summation decomposes the bare Coulomb interaction into two components:
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* the short-range contribution, evaluated in real space, and the long-range contribution,
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* computed in reciprocal space. A similar strategy can be employed for calculating four-center
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* full-range Coulomb integrals Vq = (\psi\psi|1/r|\psi\psi) in reciprocal space.
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* To use:
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* 1. Ewald_Vq<Tdata> evq
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* 2. evq.init
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* 3. evq.init_ions -> relate to latvec
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* 4. evq.cal_Vq -> return full-range Vq
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* 5. evq.cal_Vs -> return FT of Vq
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*/
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private:
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using TA = int;
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using Tcell = int;

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