MolSSI Integral Reference Project
Functions
boys.h File Reference

Calculation of the boys function. More...

#include <arb.h>
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Functions

void mirp_boys (arb_ptr F, int m, const arb_t t, slong working_prec)
 Computes the Boys function using interval arithmetic. More...
 
void mirp_boys_str (arb_ptr F, int m, const char *t, slong working_prec)
 Computes the Boys function using interval arithmetic from string inputs. More...
 
void mirp_boys_exact (double *F, int m, double t)
 Computes the Boys function to exact double precision using interval arithmetic. More...
 

Detailed Description

Calculation of the boys function.

Function Documentation

◆ mirp_boys()

void mirp_boys ( arb_ptr  F,
int  m,
const arb_t  t,
slong  working_prec 
)

Computes the Boys function using interval arithmetic.

See The Boys Function

Warning
F must be large enough to hold (m + 1) values, since this is computing from zero to m.
Parameters
[out]FThe computed values of the Boys function
[in]mThe maximum order to calculate
[in]tThe value at which to evaluate
[in]working_precThe working precision (binary digits/bits) to use in the calculation

◆ mirp_boys_exact()

void mirp_boys_exact ( double *  F,
int  m,
double  t 
)

Computes the Boys function to exact double precision using interval arithmetic.

This function takes double precision as input and returns double precision as output. Internally, it uses interval arithmetic to ensure that no precision is lost

Warning
F must be large enough to hold (m + 1) values, since this is computing from zero to m.
Parameters
[out]FThe computed values of the Boys function
[in]mThe maximum order to calculate
[in]tThe value at which to evaluate

◆ mirp_boys_str()

void mirp_boys_str ( arb_ptr  F,
int  m,
const char *  t,
slong  working_prec 
)

Computes the Boys function using interval arithmetic from string inputs.

See The Boys Function

Warning
F must be large enough to hold (m + 1) values, since this is computing from zero to m.
Parameters
[out]FThe computed values of the Boys function
[in]mThe maximum order to calculate
[in]tThe value at which to evaluate
[in]working_precThe working precision (binary digits/bits) to use in the calculation