pressure_inline.hpp File Reference

#include <config/config.hpp>
#include "bonded_interactions/bonded_interaction_data.hpp"
#include "magnetostatics/dipoles.hpp"
#include "nonbonded_interactions/nonbonded_interaction_data.hpp"
#include "BoxGeometry.hpp"
#include "Observable_stat.hpp"
#include "Particle.hpp"
#include "errorhandling.hpp"
#include "exclusions.hpp"
#include "forces_inline.hpp"
#include <utils/Vector.hpp>
#include <utils/math/tensor_product.hpp>
#include <cstdio>
#include <optional>
#include <span>
#include <string>
#include <tuple>
#include <variant>

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Functions
std::optional< Utils::Matrix< double, 3, 3 > >	calc_bonded_virial_pressure_tensor (Bonded_IA_Parameters const &iaparams, Utils::Vector3d const &pos1, Utils::Vector3d const &pos2, BoxGeometry const &box_geo, Coulomb::ShortRangeForceKernel::kernel_type const *kernel, double q1q2)
std::optional< Utils::Matrix< double, 3, 3 > >	calc_bonded_virial_pressure_tensor (Bonded_IA_Parameters const &iaparams, Particle const &p1, Particle const &p2, BoxGeometry const &box_geo, Coulomb::ShortRangeForceKernel::kernel_type const *kernel)
std::optional< Utils::Matrix< double, 3, 3 > >	calc_bonded_three_body_pressure_tensor (Bonded_IA_Parameters const &iaparams, Utils::Vector3d const &pos1, Utils::Vector3d const &pos2, Utils::Vector3d const &pos3, BoxGeometry const &box_geo)
std::optional< Utils::Matrix< double, 3, 3 > >	calc_bonded_four_body_pressure_tensor (Bonded_IA_Parameters const &iaparams, Utils::Vector3d const &pos1, Utils::Vector3d const &pos2, Utils::Vector3d const &pos3, Utils::Vector3d const &pos4, BoxGeometry const &box_geo)

Function Documentation

calc_bonded_four_body_pressure_tensor()

std::optional< Utils::Matrix< double, 3, 3 > > calc_bonded_four_body_pressure_tensor ( Bonded_IA_Parameters const &  iaparams, Utils::Vector3d const &  pos1, Utils::Vector3d const &  pos2, Utils::Vector3d const &  pos3, Utils::Vector3d const &  pos4, BoxGeometry const &  box_geo  )

inline

Definition at line 116 of file pressure_inline.hpp.

References calc_bonded_dihedral_force(), BoxGeometry::get_mi_vector(), runtimeWarningMsg, stream, and Utils::tensor_product().

Referenced by DihedralBondsPressureKernel::operator()().

calc_bonded_three_body_pressure_tensor()

std::optional< Utils::Matrix< double, 3, 3 > > calc_bonded_three_body_pressure_tensor ( Bonded_IA_Parameters const &  iaparams, Utils::Vector3d const &  pos1, Utils::Vector3d const &  pos2, Utils::Vector3d const &  pos3, BoxGeometry const &  box_geo  )

inline

Definition at line 85 of file pressure_inline.hpp.

References calc_bonded_three_body_force(), BoxGeometry::get_mi_vector(), runtimeWarningMsg, stream, and Utils::tensor_product().

Referenced by AngleBondsPressureKernel::operator()().

calc_bonded_virial_pressure_tensor() [1/2]

std::optional< Utils::Matrix< double, 3, 3 > > calc_bonded_virial_pressure_tensor ( Bonded_IA_Parameters const &  iaparams, Particle const &  p1, Particle const &  p2, BoxGeometry const &  box_geo, Coulomb::ShortRangeForceKernel::kernel_type const *  kernel  )

inline

Definition at line 69 of file pressure_inline.hpp.

References calc_bonded_virial_pressure_tensor(), and stream.

calc_bonded_virial_pressure_tensor() [2/2]

std::optional< Utils::Matrix< double, 3, 3 > > calc_bonded_virial_pressure_tensor ( Bonded_IA_Parameters const &  iaparams, Utils::Vector3d const &  pos1, Utils::Vector3d const &  pos2, BoxGeometry const &  box_geo, Coulomb::ShortRangeForceKernel::kernel_type const *  kernel, double  q1q2  )

inline

Definition at line 49 of file pressure_inline.hpp.

References calc_bond_pair_force(), BoxGeometry::get_mi_vector(), pair_force(), stream, and Utils::tensor_product().

Referenced by calc_bonded_virial_pressure_tensor(), and PairBondsPressureKernel::operator()().