xmolecule
Manual
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Derived Types
Programs
initial_density
Function
Gnu General Public License V3
27 statements
operations
initial_density
Contents
public function initial_density(p, g, a, b) result(rho)
prepares an initial electron density F%rho based on atomic electron densities
Arguments
Type
Intent
Optional
Attributes
Name
type(
param
),
intent(in)
::
p
type(
grid3d
),
intent(in)
::
g
type(
atom_set
),
intent(in)
::
a
(:)
type(
basis
),
intent(in)
::
b
Return Value
real(kind=long), (g%n_grid)