@brief Compute XC contributions to the gradient from a grid point, LDA part @param[in] iPt index of a grid point @param[inout] bfGrad array of gradient contributions per basis function @param[in] fgrad XC gradient @param[in] moV MO-like orbital values @author Vladimir Mironov
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=fp), | intent(inout) | :: | bfGrad(:,:) | |||
| real(kind=fp), | intent(in) | :: | fGrad(:) | |||
| real(kind=fp), | intent(in), | contiguous | :: | moV(:,:) | ||
| real(kind=fp), | intent(in), | contiguous | :: | aoG1(:,:,:) | ||
| integer, | intent(in) | :: | nPts |