QPMS
Electromagnetic multiple scattering library and toolkit.
Data Fields
qpms_ewald3_constants_t Struct Reference

Object holding the Ewald sum constant factors. More...

#include <ewald.h>

Collaboration diagram for qpms_ewald3_constants_t:
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Data Fields

qpms_l_t lMax
 
qpms_y_t nelem_sc
 
qpms_l_ts1_jMaxes
 The values of maximum j's in the long-range part summation, [(l-|m|/2)].
 
complex double ** s1_constfacs
 The constant factors for the long range part of a 2D Ewald sum.
 
complex double * s1_constfacs_base
 Internal pointer holding memory for the 2D Ewald sum constant factors.
 
complex double ** S1_constfacs
 The constant factors for the long range part of a 1D Ewald sum along the z axis. More...
 
complex double * S1_constfacs_base
 
complex double ** s1_constfacs_1Dz
 The constant factors for the long range part of a 1D Ewald sum along the z axis. More...
 
complex double * s1_constfacs_1Dz_base
 Internal pointer holding memory for the 1D Ewald sum constant factors.
 
double * legendre0
 
double * legendre_plus1
 
double * legendre_minus1
 
gsl_sf_legendre_t legendre_normconv
 
int legendre_csphase
 

Detailed Description

Object holding the Ewald sum constant factors.

Used internally by qpms_translation_calculator_t. Initialised by qpms_ewald3_constants_init() and freed by qpms_ewald3_constants_free().

Field Documentation

◆ S1_constfacs

complex double** qpms_ewald3_constants_t::S1_constfacs

The constant factors for the long range part of a 1D Ewald sum along the z axis.

If the summation points lie along a different direction, use the formula for 2D sum with additional factor of \( \sqrt{pi} \kappa \gamma(\abs{\vect{k}+\vect{K}}/\kappa) \). =============== NEW GENERATION GENERAL 2D-IN-3D, including z != 0 ========================= The constant factors for the long range part of a 2D Ewald sum.

◆ s1_constfacs_1Dz

complex double** qpms_ewald3_constants_t::s1_constfacs_1Dz

The constant factors for the long range part of a 1D Ewald sum along the z axis.

If the summation points lie along a different direction, use the formula for 2D sum with additional factor of \( \sqrt{pi} \kappa \gamma(\abs{\vect{k}+\vect{K}}/\kappa) \).

◆ S1_constfacs_base

complex double* qpms_ewald3_constants_t::S1_constfacs_base

Internal pointer holding memory for the 2D Ewald sum constant factors.


The documentation for this struct was generated from the following file: