hirshfeld.F90 File Reference

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Modules
module	hirshfeld_oct_m

Data Types
type	hirshfeld_oct_m::hirshfeld_t

Functions/Subroutines
subroutine, public	hirshfeld_oct_m::hirshfeld_init (this, mesh, namespace, space, latt, atom, natoms, pos, nspin)
subroutine, public	hirshfeld_oct_m::hirshfeld_end (this)
subroutine, public	hirshfeld_oct_m::hirshfeld_charge (this, space, iatom, density, charge)
subroutine, public	hirshfeld_oct_m::hirshfeld_volume_ratio (this, iatom, density, volume_ratio)
subroutine, public	hirshfeld_oct_m::hirshfeld_density_derivative (this, iatom, ddensity)
subroutine, public	hirshfeld_oct_m::hirshfeld_position_derivative (this, space, iatom, jatom, density, dposition)

Variables
real(real64), parameter, public	hirshfeld_oct_m::tol_hirshfeld = 1e-9_real64