43 std::unique_ptr<Implementation>
impl;
81 inline std::optional<ShortRangeForceCorrectionsKernel>
Vector implementation and trait types for boost qvm interoperability.
This file contains the defaults for ESPResSo.
Solver const & get_coulomb()
void on_observable_calc()
std::optional< ShortRangePressureKernel > pair_pressure_kernel() const
std::function< Utils::Matrix< double, 3, 3 >(double, Utils::Vector3d const &, double)> ShortRangePressureKernel
void sanity_checks() const
std::function< Utils::Vector3d(double, Utils::Vector3d const &, double)> ShortRangeForceKernel
void on_cell_structure_change()
std::function< double(Particle const &, Particle const &, double, Utils::Vector3d const &, double)> ShortRangeEnergyKernel
std::optional< ShortRangeForceKernel > pair_force_kernel() const
std::function< void(Particle &, Particle &, double)> ShortRangeForceCorrectionsKernel
void on_periodicity_change()
void calc_long_range_force(ParticleRange const &particles) const
void on_node_grid_change()
Utils::Vector9d calc_pressure_long_range(ParticleRange const &particles) const
void on_particle_change()
std::unique_ptr< Implementation > impl
Pointer-to-implementation.
std::optional< ShortRangeEnergyKernel > pair_energy_kernel() const
bool reinit_on_observable_calc
Whether to reinitialize the solver on observable calculation.
std::optional< ShortRangeForceCorrectionsKernel > pair_force_elc_kernel() const
double calc_energy_long_range(ParticleRange const &particles) const
Struct holding all information for one particle.