Reaction_field_params Struct Reference

Structure to hold Reaction Field Parameters. More...

#include <reaction_field.h>

Data Fields
double	kappa
	ionic strength .
double	epsilon1
	epsilon1 (continuum dielectric constant inside) .
double	epsilon2
	epsilon2 (continuum dielectric constant outside) .
double	r_cut
	Cutoff for Reaction Field interaction.
double	B
	B important prefactor .

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Detailed Description

Structure to hold Reaction Field Parameters.

Definition at line 39 of file reaction_field.h.

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Field Documentation

double Reaction_field_params::B

B important prefactor .

Definition at line 49 of file reaction_field.h.

Referenced by add_rf_coulomb_pair_force_no_cutoff(), coulomb_set_bjerrum(), rf_coulomb_pair_energy_no_cutoff(), and rf_set_params().

double Reaction_field_params::epsilon1

epsilon1 (continuum dielectric constant inside) .

Definition at line 43 of file reaction_field.h.

Referenced by coulomb_set_bjerrum(), rf_set_params(), and tclprint_to_result_rf().

double Reaction_field_params::epsilon2

epsilon2 (continuum dielectric constant outside) .

Definition at line 45 of file reaction_field.h.

Referenced by coulomb_set_bjerrum(), rf_set_params(), and tclprint_to_result_rf().

double Reaction_field_params::kappa

ionic strength .

Definition at line 41 of file reaction_field.h.

Referenced by coulomb_set_bjerrum(), rf_set_params(), and tclprint_to_result_rf().

double Reaction_field_params::r_cut

Cutoff for Reaction Field interaction.

Definition at line 47 of file reaction_field.h.

Referenced by add_interrf_pair_force(), add_rf_coulomb_pair_force(), add_rf_coulomb_pair_force_no_cutoff(), coulomb_set_bjerrum(), interrf_pair_energy(), recalc_global_maximal_nonbonded_cutoff(), rf_coulomb_pair_energy(), rf_coulomb_pair_energy_no_cutoff(), rf_set_params(), and tclprint_to_result_rf().

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The documentation for this struct was generated from the following file:

• reaction_field.h