eeq_method.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	eeq_method
	Calculation of charge equilibration method.

Functions/Subroutines
subroutine, public	eeq_method::eeq_print (qs_env, iounit, print_level, ext)
	...
subroutine, public	eeq_method::eeq_charges (qs_env, charges, eeq_sparam, eeq_model, enshift_type)
	...
subroutine, public	eeq_method::eeq_forces (qs_env, charges, dcharges, gradient, stress, eeq_sparam, eeq_model, enshift_type, response_only)
	...
subroutine, public	eeq_method::eeq_solver (charges, lambda, eeq_energy, particle_set, kind_of, cell, chia, gam, gab, para_env, blacs_env, dft_control, eeq_sparam, totalcharge, ewald, ewald_env, ewald_pw, iounit)
	...
subroutine, public	eeq_method::eeq_efield_energy (qs_env, charges, ef_energy)
	...
subroutine, public	eeq_method::eeq_efield_pot (qs_env, efr)
	...
subroutine, public	eeq_method::eeq_efield_force_loc (qs_env, charges, qlag)
	...
subroutine, public	eeq_method::eeq_efield_force_periodic (qs_env, charges, qlag)
	...