ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Parameters for three-body angular potential (harmonic). More...
#include <angle_harmonic.hpp>
Public Member Functions | |
double | cutoff () const |
AngleHarmonicBond (double bend, double phi0) | |
std::tuple< Utils::Vector3d, Utils::Vector3d, Utils::Vector3d > | forces (Utils::Vector3d const &vec1, Utils::Vector3d const &vec2) const |
Compute the three-body angle interaction force. | |
double | energy (Utils::Vector3d const &vec1, Utils::Vector3d const &vec2) const |
Compute the three-body angle interaction energy. | |
Public Attributes | |
double | bend |
bending constant | |
double | phi0 |
equilibrium angle (default is 180 degrees) | |
Static Public Attributes | |
static constexpr int | num = 2 |
Parameters for three-body angular potential (harmonic).
Definition at line 39 of file angle_harmonic.hpp.
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Definition at line 49 of file angle_harmonic.hpp.
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inline |
Definition at line 45 of file angle_harmonic.hpp.
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inline |
Compute the three-body angle interaction energy.
[in] | vec1 | Vector from central particle to left particle. |
[in] | vec2 | Vector from central particle to right particle. |
Definition at line 81 of file angle_harmonic.hpp.
References bend, calc_cosine(), phi0, and Utils::sqr().
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inline |
Compute the three-body angle interaction force.
[in] | vec1 | Vector from central particle to left particle. |
[in] | vec2 | Vector from central particle to right particle. |
Definition at line 65 of file angle_harmonic.hpp.
References angle_generic_force(), bend, phi0, and Utils::sqr().
double AngleHarmonicBond::bend |
bending constant
Definition at line 41 of file angle_harmonic.hpp.
Referenced by AngleHarmonicBond(), energy(), and forces().
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staticconstexpr |
Definition at line 47 of file angle_harmonic.hpp.
double AngleHarmonicBond::phi0 |
equilibrium angle (default is 180 degrees)
Definition at line 43 of file angle_harmonic.hpp.
Referenced by AngleHarmonicBond(), energy(), and forces().