ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Buckingham potential. More...
#include <nonbonded_interaction_data.hpp>
Public Member Functions | |
Buckingham_Parameters ()=default | |
Buckingham_Parameters (double a, double b, double c, double d, double cutoff, double discont, double shift) | |
double | max_cutoff () const |
Public Attributes | |
double | A = 0.0 |
double | B = 0.0 |
double | C = 0.0 |
double | D = 0.0 |
double | cut = INACTIVE_CUTOFF |
double | discont = 0.0 |
double | shift = 0.0 |
double | F1 = 0.0 |
double | F2 = 0.0 |
Buckingham potential.
Definition at line 169 of file nonbonded_interaction_data.hpp.
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default |
Buckingham_Parameters::Buckingham_Parameters | ( | double | a, |
double | b, | ||
double | c, | ||
double | d, | ||
double | cutoff, | ||
double | discont, | ||
double | shift | ||
) |
Definition at line 32 of file buckingham.cpp.
References A, B, buck_energy_r(), buck_force_r(), C, D, discont, F1, F2, and shift.
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inline |
Definition at line 182 of file nonbonded_interaction_data.hpp.
References cut.
Referenced by recalc_maximal_cutoff().
double Buckingham_Parameters::A = 0.0 |
Definition at line 170 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), Buckingham_Parameters(), and ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham().
double Buckingham_Parameters::B = 0.0 |
Definition at line 171 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), Buckingham_Parameters(), and ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham().
double Buckingham_Parameters::C = 0.0 |
Definition at line 172 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), Buckingham_Parameters(), and ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham().
double Buckingham_Parameters::cut = INACTIVE_CUTOFF |
Definition at line 174 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham(), and max_cutoff().
double Buckingham_Parameters::D = 0.0 |
Definition at line 173 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), Buckingham_Parameters(), and ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham().
double Buckingham_Parameters::discont = 0.0 |
Definition at line 175 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), Buckingham_Parameters(), and ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham().
double Buckingham_Parameters::F1 = 0.0 |
Definition at line 177 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), and Buckingham_Parameters().
double Buckingham_Parameters::F2 = 0.0 |
Definition at line 178 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), buck_pair_force_factor(), and Buckingham_Parameters().
double Buckingham_Parameters::shift = 0.0 |
Definition at line 176 of file nonbonded_interaction_data.hpp.
Referenced by buck_pair_energy(), Buckingham_Parameters(), and ScriptInterface::Interactions::InteractionBuckingham::InteractionBuckingham().