ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Generic Lennard-Jones with shift. More...
#include <nonbonded_interaction_data.hpp>
Public Member Functions | |
LJGen_Parameters ()=default | |
LJGen_Parameters (double epsilon, double sigma, double cutoff, double shift, double offset, double lam, double delta, double e1, double e2, double b1, double b2) | |
double | get_auto_shift () const |
double | max_cutoff () const |
Public Attributes | |
double | eps = 0.0 |
double | sig = 0.0 |
double | cut = INACTIVE_CUTOFF |
double | shift = 0.0 |
double | offset = 0.0 |
double | lambda = 1.0 |
double | softrad = 0.0 |
double | a1 = 0.0 |
double | a2 = 0.0 |
double | b1 = 0.0 |
double | b2 = 0.0 |
Generic Lennard-Jones with shift.
Definition at line 79 of file nonbonded_interaction_data.hpp.
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default |
LJGen_Parameters::LJGen_Parameters | ( | double | epsilon, |
double | sigma, | ||
double | cutoff, | ||
double | shift, | ||
double | offset, | ||
double | lam, | ||
double | delta, | ||
double | e1, | ||
double | e2, | ||
double | b1, | ||
double | b2 | ||
) |
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inline |
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inline |
Definition at line 105 of file nonbonded_interaction_data.hpp.
Referenced by ljgen_pair_energy(), ljgen_pair_force_factor(), and recalc_maximal_cutoff().
double LJGen_Parameters::a1 = 0.0 |
Definition at line 87 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::a2 = 0.0 |
Definition at line 88 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::b1 = 0.0 |
Definition at line 89 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::b2 = 0.0 |
Definition at line 90 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::cut = INACTIVE_CUTOFF |
Definition at line 82 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), and max_cutoff().
double LJGen_Parameters::eps = 0.0 |
Definition at line 80 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::lambda = 1.0 |
Definition at line 85 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::offset = 0.0 |
Definition at line 84 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), ljgen_pair_force_factor(), and max_cutoff().
double LJGen_Parameters::shift = 0.0 |
Definition at line 83 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ScriptInterface::Interactions::InteractionLJGen::make_new_instance().
double LJGen_Parameters::sig = 0.0 |
Definition at line 81 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().
double LJGen_Parameters::softrad = 0.0 |
Definition at line 86 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJGen::InteractionLJGen(), ljgen_pair_energy(), and ljgen_pair_force_factor().