grpp_specfunc.h

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/*----------------------------------------------------------------------------*/
/*  CP2K: A general program to perform molecular dynamics simulations         */
/*  Copyright 2000-2025 CP2K developers group <https://cp2k.org>              */
/*                                                                            */
/*  SPDX-License-Identifier: MIT                                              */
/*----------------------------------------------------------------------------*/
 
/*
 *  libgrpp - a library for the evaluation of integrals over
 *            generalized relativistic pseudopotentials.
 *
 *  Copyright (C) 2021-2023 Alexander Oleynichenko
 */
 
/*
 * Interface to the MyMathLib library:
 * http://www.mymathlib.com/
 */
 
#ifndef LIBGRPP_SPECFUNC_H
#define LIBGRPP_SPECFUNC_H
 
double libgrpp_modified_bessel_scaled(int n, double x);
 
void libgrpp_gfun_values(double x, int nmax, double *g);
 
double libgrpp_boys_function(int n, double x);
 
void libgrpp_boys_values(double x, int nmax, double *b);
 
double libgrpp_specfunc_fermi_sk(int k, double x);
 
double libgrpp_Dawsons_Integral(double x);
 
#endif // LIBGRPP_SPECFUNC_H