xmolecule
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nuclear_repulsion_energy
Function
Gnu General Public License V3
28 statements
operations
nuclear_repulsion_energy
Contents
public function nuclear_repulsion_energy(a, p) result(e_nuc)
nuclear repulsion energy
Arguments
Type
Intent
Optional
Attributes
Name
type(
atom_set
),
intent(in)
::
a
(:)
type(
param
),
intent(in)
::
p
Return Value
real(kind=long)