force_fields_util.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	force_fields_util

Functions/Subroutines
subroutine, public	force_fields_util::force_field_pack (particle_set, atomic_kind_set, molecule_kind_set, molecule_set, ewald_env, fist_nonbond_env, ff_type, root_section, qmmm, qmmm_env, mm_section, subsys_section, shell_particle_set, core_particle_set, cell)
	Pack in all the information needed for the force_field. More...
subroutine, public	force_fields_util::force_field_qeff_output (particle_set, molecule_kind_set, molecule_set, mm_section, charges)
	Compute the total qeff charges for each molecule kind and total system. More...
subroutine, public	force_fields_util::clean_intra_force_kind (molecule_kind_set, mm_section)
	Removes UNSET force field types. More...
subroutine, public	force_fields_util::get_generic_info (gen_section, func_name, xfunction, parameters, values, var_values, size_variables, i_rep_sec, input_variables)
	Reads from the input structure all information for generic functions. More...