Documentation for module manybody_potential

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source: manybody_potential.F
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public Subroutines/Functions:

computes the embedding contribution to the energy
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SUBROUTINEenergy_manybody(fist_nonbond_env, atomic_kind_set, local_particles, particle_set, cell, pot_manybody, para_env, mm_section)

computes the embedding contribution to the energy

Arguments:
POINTER
:: fist_nonbond_env ...
POINTER
:: atomic_kind_set(:) ...
POINTER
:: local_particles ...
POINTER
:: particle_set(:) ...
TYPE(cell_type),
POINTER
:: cell ...
REAL(dp),
INTENT(inout)
:: pot_manybody ...
OPTIONAL, POINTER
:: para_env ...
POINTER
:: mm_section ...

SUBROUTINEforce_nonbond_manybody(fist_nonbond_env, particle_set, cell, f_nonbond, pv_nonbond, use_virial)

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Arguments:
POINTER
:: fist_nonbond_env ...
POINTER
:: particle_set(:) ...
TYPE(cell_type),
POINTER
:: cell ...
REAL(dp),
INTENT(inout)
:: f_nonbond(:,:) ...
REAL(dp),
INTENT(inout)
:: pv_nonbond(:,:) ...
LOGICAL,
INTENT(in)
:: use_virial ...