multipole.cc File Reference

Code for computing multipole moments, and multipole interaction and translation matrices. More...

#include <memory.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "multipole.h"
#include "output.h"
#include "integrals_general.h"

Functions
int	compute_multipole_moments (const IntegralInfo &integralInfo, const DistributionSpecStruct *distr, multipole_struct_small *result)
int	setup_multipole_maxAbsMomentList (multipole_struct_large *multipole)

Detailed Description

Code for computing multipole moments, and multipole interaction and translation matrices.

Author

: Elias Rudberg responsible

Function Documentation

compute_multipole_moments()

int compute_multipole_moments	(	const IntegralInfo &	integralInfo,
		const DistributionSpecStruct *	distr,
		multipole_struct_small *	result )

References IntegralInfo::basis_func_poly_list, DistributionSpecStruct::centerCoords, multipole_struct_small::centerCoords, basis_func_term_struct::coeff, DistributionSpecStruct::coeff, compute_integral_of_simple_prim(), multipole_struct_small::degree, do_output(), LOG_AREA_INTEGRALS, LOG_CAT_ERROR, MAX_MULTIPOLE_DEGREE_BASIC, MAX_NO_OF_MOMENTS_PER_MULTIPOLE_BASIC, multipole_struct_small::momentList, basis_func_term_struct::monomialInts, DistributionSpecStruct::monomialInts, IntegralInfo::no_of_basis_func_polys, multipole_struct_small::noOfMoments, basis_func_poly_struct::noOfTerms, basis_func_poly_struct::scaledSolidHarmonicPrefactor, template_blas_fabs(), and basis_func_poly_struct::termList.

Referenced by compute_K_by_boxes(), compute_V_and_gradient_linear(), create_list_of_multipoles_for_box(), generate_multipoles_for_groups(), organize_distributions(), and organize_distrs_for_V().

setup_multipole_maxAbsMomentList()

int setup_multipole_maxAbsMomentList

(

multipole_struct_large *

multipole

)

References multipole_struct_large::euclideanNormList, MAX_MULTIPOLE_DEGREE, multipole_struct_large::maxAbsMomentList, multipole_struct_large::momentList, template_blas_fabs(), and template_blas_sqrt().

Referenced by combine_mm_info_for_child_boxes(), create_nuclei_mm_tree(), execute_joblist_J_fmm_shared(), and translate_multipoles_for_box().