ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Lennard-Jones with shift. More...
#include <nonbonded_interaction_data.hpp>
Public Member Functions | |
LJ_Parameters ()=default | |
LJ_Parameters (double epsilon, double sigma, double cutoff, double offset, double min, double shift) | |
double | get_auto_shift () const |
double | max_cutoff () const |
double | min_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 | min = 0.0 |
Lennard-Jones with shift.
Definition at line 47 of file nonbonded_interaction_data.hpp.
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default |
LJ_Parameters::LJ_Parameters | ( | double | epsilon, |
double | sigma, | ||
double | cutoff, | ||
double | offset, | ||
double | min, | ||
double | shift | ||
) |
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inline |
Definition at line 57 of file nonbonded_interaction_data.hpp.
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inline |
Definition at line 64 of file nonbonded_interaction_data.hpp.
Referenced by lj_pair_energy(), lj_pair_force_factor(), and recalc_maximal_cutoff().
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inline |
Definition at line 65 of file nonbonded_interaction_data.hpp.
Referenced by lj_pair_energy(), and lj_pair_force_factor().
double LJ_Parameters::cut = INACTIVE_CUTOFF |
Definition at line 50 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJ::InteractionLJ(), and max_cutoff().
double LJ_Parameters::eps = 0.0 |
Definition at line 48 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJ::InteractionLJ(), lj_pair_energy(), and lj_pair_force_factor().
double LJ_Parameters::min = 0.0 |
Definition at line 53 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJ::InteractionLJ(), and min_cutoff().
double LJ_Parameters::offset = 0.0 |
Definition at line 52 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJ::InteractionLJ(), lj_pair_energy(), lj_pair_force_factor(), max_cutoff(), and min_cutoff().
double LJ_Parameters::shift = 0.0 |
Definition at line 51 of file nonbonded_interaction_data.hpp.
Referenced by ScriptInterface::Interactions::InteractionLJ::InteractionLJ(), lj_pair_energy(), and ScriptInterface::Interactions::InteractionLJ::make_new_instance().
double LJ_Parameters::sig = 0.0 |
Definition at line 49 of file nonbonded_interaction_data.hpp.
Referenced by get_auto_shift(), ScriptInterface::Interactions::InteractionLJ::InteractionLJ(), lj_pair_energy(), and lj_pair_force_factor().