ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Parameters for quartic bond Potential. More...
#include <quartic.hpp>
Public Member Functions | |
double | cutoff () const |
QuarticBond (double k0, double k1, double r, double r_cut) | |
std::optional< Utils::Vector3d > | force (Utils::Vector3d const &dx) const |
Compute the quartic bond force. | |
std::optional< double > | energy (Utils::Vector3d const &dx) const |
Compute the quartic bond energy. | |
Public Attributes | |
double | k0 |
double | k1 |
double | r |
double | r_cut |
Static Public Attributes | |
static constexpr int | num = 1 |
Parameters for quartic bond Potential.
Definition at line 36 of file quartic.hpp.
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inline |
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inline |
Definition at line 41 of file quartic.hpp.
References r_cut.
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inline |
Compute the quartic bond energy.
[in] | dx | Distance between the particles. |
Definition at line 85 of file quartic.hpp.
References k0, k1, Utils::Vector< T, N >::norm(), r, r_cut, and Utils::sqr().
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inline |
Compute the quartic bond force.
[in] | dx | Distance between the particles. |
Definition at line 60 of file quartic.hpp.
References k0, k1, Utils::Vector< T, N >::norm(), r, r_cut, ROUND_ERROR_PREC, and runtimeErrorMsg.
double QuarticBond::k0 |
Definition at line 37 of file quartic.hpp.
Referenced by energy(), force(), and QuarticBond().
double QuarticBond::k1 |
Definition at line 37 of file quartic.hpp.
Referenced by energy(), force(), and QuarticBond().
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staticconstexpr |
Definition at line 43 of file quartic.hpp.
double QuarticBond::r |
Definition at line 38 of file quartic.hpp.
Referenced by energy(), force(), and QuarticBond().
double QuarticBond::r_cut |
Definition at line 39 of file quartic.hpp.
Referenced by cutoff(), energy(), force(), and QuarticBond().