@brief Copy density block from the triangular density matrix @details This subroutine assumes arbitrary order of shell IDs @param[in] shi first shell data @param[in] shj second shell data @param[in] dij density matrix in packed triangular form @param[out] denab density matrix block for shells shi and shj
Note
Used in TVDER-based subroutines @author Vladimir Mironov @date Sep, 2018 Initial release
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(shell_t), | intent(in) | :: | shi | |||
| type(shell_t), | intent(in) | :: | shj | |||
| real(kind=REAL64), | intent(out), | CONTIGUOUS | :: | dij(:) | ||
| real(kind=REAL64), | intent(in), | CONTIGUOUS | :: | denab(:) |