ewalds_multipole.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	ewalds_multipole
	Treats the electrostatic for multipoles (up to quadrupoles)

Functions/Subroutines
recursive subroutine, public	ewalds_multipole::ewald_multipole_evaluate (ewald_env, ewald_pw, nonbond_env, cell, particle_set, local_particles, energy_local, energy_glob, e_neut, e_self, task, do_correction_bonded, do_forces, do_stress, do_efield, radii, charges, dipoles, quadrupoles, forces_local, forces_glob, pv_local, pv_glob, efield0, efield1, efield2, iw, do_debug, atomic_kind_set, mm_section)
	Computes the potential and the force for a lattice sum of multipoles (up to quadrupole)