Documentation for module fist_efield_methods

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source: fist_efield_methods.F
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public Subroutines/Functions:

Evaluates the Dipole of a classical charge distribution(point-like) possibly using the berry phase formalism
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SUBROUTINEfist_dipole(fist_env, print_section, atomic_kind_set, particle_set, cell, unit_nr, charges)

Evaluates the Dipole of a classical charge distribution(point-like) possibly using the berry phase formalism

Arguments:
POINTER
:: fist_env ...
POINTER
:: print_section ...
POINTER
:: atomic_kind_set(:) ...
POINTER
:: particle_set(:) ...
TYPE(cell_type),
POINTER
:: cell ...
INTEGER,
INTENT(in)
:: unit_nr ...
REAL(dp),
OPTIONAL, POINTER
:: charges(:) ...

SUBROUTINEfist_efield_energy_force(qenergy, qforce, qpv, atomic_kind_set, particle_set, cell, efield, use_virial, iunit, charges)

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Arguments:
REAL(dp),
INTENT(out)
:: qenergy ...
REAL(dp),
INTENT(out)
:: qforce(:,:) ...
REAL(dp),
INTENT(out)
:: qpv(3,3) ...
POINTER
:: atomic_kind_set(:) ...
POINTER
:: particle_set(:) ...
TYPE(cell_type),
POINTER
:: cell ...
POINTER
:: efield ...
LOGICAL,
INTENT(in),
OPTIONAL
:: use_virial ...
INTEGER,
INTENT(in),
OPTIONAL
:: iunit ...
REAL(dp),
OPTIONAL, POINTER
:: charges(:) ...