IA_parameters Struct Reference

Parameters for non-bonded interactions. More...

#include <nonbonded_interaction_data.hpp>

Collaboration diagram for IA_parameters:

Public Attributes
double	max_cut = INACTIVE_CUTOFF
	maximal cutoff for this pair of particle types.
LJ_Parameters	lj
WCA_Parameters	wca
LJGen_Parameters	ljgen
SmoothStep_Parameters	smooth_step
Hertzian_Parameters	hertzian
Gaussian_Parameters	gaussian
BMHTF_Parameters	bmhtf
Morse_Parameters	morse
Buckingham_Parameters	buckingham
SoftSphere_Parameters	soft_sphere
Hat_Parameters	hat
LJcos_Parameters	ljcos
LJcos2_Parameters	ljcos2
GayBerne_Parameters	gay_berne
TabulatedPotential	tab
DPD_Parameters	dpd
Thole_Parameters	thole

Detailed Description

Parameters for non-bonded interactions.

Definition at line 280 of file nonbonded_interaction_data.hpp.

Member Data Documentation

bmhtf

BMHTF_Parameters IA_parameters::bmhtf

Definition at line 312 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), ScriptInterface::Interactions::InteractionBMHTF::get_ptr_offset(), and recalc_maximal_cutoff().

buckingham

Buckingham_Parameters IA_parameters::buckingham

Definition at line 320 of file nonbonded_interaction_data.hpp.

Referenced by buck_pair_energy(), buck_pair_force_factor(), ScriptInterface::Interactions::InteractionBuckingham::get_ptr_offset(), and recalc_maximal_cutoff().

dpd

DPD_Parameters IA_parameters::dpd

Definition at line 348 of file nonbonded_interaction_data.hpp.

Referenced by dpd_pair_force(), ScriptInterface::Interactions::InteractionDPD::get_ptr_offset(), and recalc_maximal_cutoff().

gaussian

Gaussian_Parameters IA_parameters::gaussian

Definition at line 308 of file nonbonded_interaction_data.hpp.

Referenced by gaussian_pair_energy(), gaussian_pair_force_factor(), ScriptInterface::Interactions::InteractionGaussian::get_ptr_offset(), and recalc_maximal_cutoff().

gay_berne

GayBerne_Parameters IA_parameters::gay_berne

Definition at line 340 of file nonbonded_interaction_data.hpp.

Referenced by gb_pair_energy(), gb_pair_force(), ScriptInterface::Interactions::InteractionGayBerne::get_ptr_offset(), and recalc_maximal_cutoff().

hat

Hat_Parameters IA_parameters::hat

Definition at line 328 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionHat::get_ptr_offset(), hat_pair_energy(), hat_pair_force_factor(), and recalc_maximal_cutoff().

hertzian

Hertzian_Parameters IA_parameters::hertzian

Definition at line 304 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionHertzian::get_ptr_offset(), hertzian_pair_energy(), hertzian_pair_force_factor(), and recalc_maximal_cutoff().

lj

LJ_Parameters IA_parameters::lj

Definition at line 288 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJ::get_ptr_offset(), lj_pair_energy(), lj_pair_force_factor(), and recalc_maximal_cutoff().

ljcos

LJcos_Parameters IA_parameters::ljcos

Definition at line 332 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos::get_ptr_offset(), ljcos_pair_energy(), ljcos_pair_force_factor(), and recalc_maximal_cutoff().

ljcos2

LJcos2_Parameters IA_parameters::ljcos2

Definition at line 336 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos2::get_ptr_offset(), ljcos2_pair_energy(), ljcos2_pair_force_factor(), and recalc_maximal_cutoff().

ljgen

LJGen_Parameters IA_parameters::ljgen

Definition at line 296 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJGen::get_ptr_offset(), ljgen_pair_energy(), ljgen_pair_force_factor(), and recalc_maximal_cutoff().

max_cut

double IA_parameters::max_cut = INACTIVE_CUTOFF

maximal cutoff for this pair of particle types.

This contains contributions from the short-ranged interactions, plus any cutoffs from global interactions like electrostatics.

Definition at line 285 of file nonbonded_interaction_data.hpp.

Referenced by add_non_bonded_pair_force(), and Constraints::is_active().

morse

Morse_Parameters IA_parameters::morse

Definition at line 316 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionMorse::get_ptr_offset(), morse_pair_energy(), morse_pair_force_factor(), and recalc_maximal_cutoff().

smooth_step

SmoothStep_Parameters IA_parameters::smooth_step

Definition at line 300 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::get_ptr_offset(), recalc_maximal_cutoff(), SmSt_pair_energy(), and SmSt_pair_force_factor().

soft_sphere

SoftSphere_Parameters IA_parameters::soft_sphere

Definition at line 324 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSoftSphere::get_ptr_offset(), recalc_maximal_cutoff(), soft_pair_energy(), and soft_pair_force_factor().

tab

TabulatedPotential IA_parameters::tab

Definition at line 344 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionTabulated::get_ptr_offset(), recalc_maximal_cutoff(), tabulated_pair_energy(), and tabulated_pair_force_factor().

thole

Thole_Parameters IA_parameters::thole

Definition at line 352 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionThole::get_ptr_offset(), recalc_maximal_cutoff(), thole_pair_energy(), and thole_pair_force().

wca

WCA_Parameters IA_parameters::wca

Definition at line 292 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionWCA::get_ptr_offset(), recalc_maximal_cutoff(), wca_pair_energy(), and wca_pair_force_factor().

---

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

• nonbonded_interaction_data.hpp