ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <dp3m.impl.hpp>
Public Attributes | |
int | sum_dip_part = 0 |
number of dipolar particles (only on head node). | |
double | sum_mu2 = 0. |
Sum of square of magnetic dipoles (only on head node). | |
double | pos_shift = 0. |
position shift for calculation of first assignment mesh point. | |
double | energy_correction = 0. |
cached k-space self-energy correction | |
std::vector< FloatType > | ks_scalar |
k-space scalar mesh for k-space calculations. | |
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 45 of file dp3m.impl.hpp.
double p3m_data_struct_dipoles< FloatType >::energy_correction = 0. |
cached k-space self-energy correction
Definition at line 57 of file dp3m.impl.hpp.
Referenced by DipolarP3MImpl< FloatType, Architecture >::calc_energy_correction(), and DipolarP3MImpl< FloatType, Architecture >::scaleby_box_l().
p3m_interpolation_cache p3m_data_struct_dipoles< FloatType >::inter_weights |
Definition at line 61 of file dp3m.impl.hpp.
std::vector<FloatType> p3m_data_struct_dipoles< FloatType >::ks_scalar |
k-space scalar mesh for k-space calculations.
Definition at line 59 of file dp3m.impl.hpp.
double p3m_data_struct_dipoles< FloatType >::pos_shift = 0. |
position shift for calculation of first assignment mesh point.
Definition at line 54 of file dp3m.impl.hpp.
int p3m_data_struct_dipoles< FloatType >::sum_dip_part = 0 |
number of dipolar particles (only on head node).
Definition at line 49 of file dp3m.impl.hpp.
Referenced by DipolarTuningAlgorithm< FloatType, Architecture >::calculate_accuracy(), DipolarTuningAlgorithm< FloatType, Architecture >::determine_mesh_limits(), DipolarTuningAlgorithm< FloatType, Architecture >::setup_logger(), and DipolarP3MImpl< FloatType, Architecture >::tune().
double p3m_data_struct_dipoles< FloatType >::sum_mu2 = 0. |
Sum of square of magnetic dipoles (only on head node).
Definition at line 51 of file dp3m.impl.hpp.
Referenced by DipolarP3MImpl< FloatType, Architecture >::calc_energy_correction(), DipolarTuningAlgorithm< FloatType, Architecture >::calculate_accuracy(), and DipolarTuningAlgorithm< FloatType, Architecture >::setup_logger().