ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
|
#include <p3m.impl.hpp>
Public Attributes | |
int | sum_qpart = 0 |
number of charged particles (only on head node). | |
double | sum_q2 = 0. |
Sum of square of charges (only on head node). | |
double | square_sum_q = 0. |
square of sum of charges (only on head node). | |
p3m_interpolation_cache | inter_weights |
Public Attributes inherited from p3m_data_struct< FloatType > | |
P3MParameters | params |
P3M base parameters. | |
P3MLocalMesh | local_mesh |
Local mesh properties. | |
P3MFFTMesh< FloatType > | mesh |
Local mesh FFT buffers. | |
std::array< std::vector< int >, 3 > | d_op |
Spatial differential operator in k-space. | |
std::vector< FloatType > | g_force |
Force optimised influence function (k-space) | |
std::vector< FloatType > | g_energy |
Energy optimised influence function (k-space) | |
std::unique_ptr< FFTBackend< FloatType > > | fft |
FFT algorithm. | |
std::unique_ptr< FFTBuffers< FloatType > > | fft_buffers |
FFT buffers. | |
Additional Inherited Members | |
Public Types inherited from p3m_data_struct< FloatType > | |
using | value_type = FloatType |
Public Member Functions inherited from p3m_data_struct< FloatType > | |
p3m_data_struct (P3MParameters &¶meters) | |
void | calc_differential_operator () |
Calculate the Fourier transformed differential operator. | |
void | init () |
void | update_mesh_views () |
template<typename T , class... Args> | |
void | make_fft_instance (Args... args) |
template<typename T , class... Args> | |
void | make_mesh_instance (Args... args) |
Definition at line 44 of file p3m.impl.hpp.
p3m_interpolation_cache p3m_data_struct_coulomb< FloatType >::inter_weights |
Definition at line 54 of file p3m.impl.hpp.
double p3m_data_struct_coulomb< FloatType >::square_sum_q = 0. |
square of sum of charges (only on head node).
Definition at line 52 of file p3m.impl.hpp.
double p3m_data_struct_coulomb< FloatType >::sum_q2 = 0. |
Sum of square of charges (only on head node).
Definition at line 50 of file p3m.impl.hpp.
Referenced by CoulombTuningAlgorithm< FloatType, Architecture >::calculate_accuracy(), and CoulombTuningAlgorithm< FloatType, Architecture >::setup_logger().
int p3m_data_struct_coulomb< FloatType >::sum_qpart = 0 |
number of charged particles (only on head node).
Definition at line 48 of file p3m.impl.hpp.
Referenced by CoulombTuningAlgorithm< FloatType, Architecture >::calculate_accuracy(), CoulombTuningAlgorithm< FloatType, Architecture >::determine_mesh_limits(), and CoulombTuningAlgorithm< FloatType, Architecture >::setup_logger().