density Function

public function density(g, b, dmatrix) result(rho)

computes electronic density on the grid density: $$\rho(x) = \sum_{i=1}^{N_\text{MO}} n_i | \psi_i(x) |^2$$ $$\psi_i(x) = \sum_{j=1}^{N_\text{basis}} C_{ij} \phi_j(x)$$ where $phi(x)$ is a basis function

Arguments

Type	Intent	Optional	Attributes		Name
type(grid3d),	intent(in)			::	g
type(basis),	intent(in)			::	b
real(kind=long)				::	dmatrix(b%n_basis,b%n_basis)

Return Value real(kind=long), (g%n_grid)