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Atomic-orbital Based Ab-initio Computation at UStc
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gaunt_ans Struct Reference

gaunt function test: Use the sympy gaunt function run results as the test set. Test set results are stored in Gaunt.txt with data structure l1 l2 l3 m1 m2 m3 gaunt(l1,l2,l3,m1,m2,m3). Double precision machine error (1e-15) is used to compare the accuracy of the function in abacus and the gaunt function in sumpy. More...

Collaboration diagram for gaunt_ans:

Public Attributes

int l1
 
int l2
 
int l3
 
int m1
 
int m2
 
int m3
 
double gaunt
 

Detailed Description

gaunt function test: Use the sympy gaunt function run results as the test set. Test set results are stored in Gaunt.txt with data structure l1 l2 l3 m1 m2 m3 gaunt(l1,l2,l3,m1,m2,m3). Double precision machine error (1e-15) is used to compare the accuracy of the function in abacus and the gaunt function in sumpy.

Member Data Documentation

◆ gaunt

double gaunt_ans::gaunt

◆ l1

int gaunt_ans::l1

◆ l2

int gaunt_ans::l2

◆ l3

int gaunt_ans::l3

◆ m1

int gaunt_ans::m1

◆ m2

int gaunt_ans::m2

◆ m3

int gaunt_ans::m3

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