Program Listing for File common.h

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// HORTON: Helpful Open-source Research TOol for N-fermion systems.
// Copyright (C) 2011-2017 The HORTON Development Team
//
// This file is part of HORTON.
//
// HORTON is free software; you can redistribute it and/or
// modify it under the terms of the GNU General Public License
// as published by the Free Software Foundation; either version 3
// of the License, or (at your option) any later version.
//
// HORTON is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
// GNU General Public License for more details.
//
// You should have received a copy of the GNU General Public License
// along with this program; if not, see <http://www.gnu.org/licenses/>
//
//--

#ifndef GBASIS_COMMON_H_
#define GBASIS_COMMON_H_

#define MAX_SHELL_TYPE 7
#define MAX_NCART_CUMUL ((MAX_SHELL_TYPE+1)*(MAX_SHELL_TYPE+2)*(MAX_SHELL_TYPE+3))/6
#define MAX_NCART_CUMUL_D ((MAX_SHELL_TYPE+2)*(MAX_SHELL_TYPE+3)*(MAX_SHELL_TYPE+4))/6
#define MAX_NCART_CUMUL_DD ((MAX_SHELL_TYPE+3)*(MAX_SHELL_TYPE+4)*(MAX_SHELL_TYPE+5))/6

// Simple math stuff
long fac(long n);

long fac2(long n);

long binom(long n, long m);

long get_shell_nbasis(long shell_type);


long get_max_shell_type();

const double dist_sq(const double *r0, const double *r1);

// Auxiliary functions for Gaussian integrals
void compute_gpt_center(double alpha0, const double *r0, double alpha1, const double *r1,
                        double gamma_inv,
                        double *gpt_center);

double gpt_coeff(long k, long n0, long n1, double pa, double pb);

double gb_overlap_int1d(long n0, long n1, double pa, double pb, double gamma_inv);

void nuclear_attraction_helper(double *work_g, long n0, long n1, double pa, double pb, double pc,
                               double gamma_inv);

// Auxiliary functions for r^alpha integrals

double cit(int i, double t, int m);

long jfac(int j, int n);

double dtaylor(int n, double alpha, double t, double prefac);

#endif  // GBASIS_COMMON_H_