compAtGradDRho Subroutine

public subroutine compAtGradDRho(bfGrad, fGrad, moV, moG1, aoG1, aoG2, npts)

@brief Compute XC contributions to the gradient from a grid point, GGA part @param[inout] bfGrad array of gradient contributions per basis function @param[in] fgrad XC gradient @param[in] moV MO-like orbital values @param[in] moG1 MO-like orbital gradients @author Vladimir Mironov

Arguments

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	::	moG1(:,:,:)
real(kind=fp),	intent(in),		contiguous	::	aoG1(:,:,:)
real(kind=fp),	intent(in),		contiguous	::	aoG2(:,:,:)
integer,	intent(in)			::	npts