@brief Compute XC contributions to the gradient from a grid point, mGGA part @param[in] iPt index of a grid point @param[inout] bfGrad array of gradient contributinos per basis function @param[in] dedta XC energy, mGGA contribution, alpha-spin @param[in] dedtb XC energy, mGGA contribution, beta-spin @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 | :: | moG1(:,:,:) | ||
| real(kind=fp), | intent(in), | contiguous | :: | aoG2(:,:,:) | ||
| integer, | intent(in) | :: | npts |