@brief Compute primitive block of 1e Coulomb atraction integrals for Ewald summation, long-range part @details 1e integrals using modified Coulomb potential: \f$ \frac{Erf(\omega^{1/2}|r-r_C|)}{|r-r_C|} \f$ @param[in] cp shell pair data @param[in] id current pair of primitives @param[in] c coordinates of the charged particle @param[in] znuc particle charge @param[in] omega Ewald splitting parameter @param[inout] vblk block of 1e Coulomb integrals @author Vladimir Mironov @date Sep, 2018 Initial release
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(shpair_t), | intent(in) | :: | cp | |||
| integer, | intent(in) | :: | id | |||
| real(kind=REAL64), | intent(in) | :: | c(3) | |||
| real(kind=REAL64), | intent(in) | :: | znuc | |||
| real(kind=REAL64), | intent(in) | :: | omega | |||
| real(kind=REAL64), | intent(inout), | CONTIGUOUS | :: | vblk(:) |