Line data    Source code

       1             : /*----------------------------------------------------------------------------*/
       2             : /*  CP2K: A general program to perform molecular dynamics simulations         */
       3             : /*  Copyright 2000-2025 CP2K developers group <https://cp2k.org>              */
       4             : /*                                                                            */
       5             : /*  SPDX-License-Identifier: MIT                                              */
       6             : /*----------------------------------------------------------------------------*/
       7             : 
       8             : /*
       9             :  *  libgrpp - a library for the evaluation of integrals over
      10             :  *            generalized relativistic pseudopotentials.
      11             :  *
      12             :  *  Copyright (C) 2021-2023 Alexander Oleynichenko
      13             :  */
      14             : 
      15             : #include <math.h>
      16             : 
      17             : #ifndef M_PI
      18             : #define M_PI 3.14159265358979323846
      19             : #endif
      20             : 
      21             : #include "grpp_norm_gaussian.h"
      22             : 
      23             : /**
      24             :  * Calculates normalization factor for the cartesian Gaussian x^n y^l z^m
      25             :  * exp(-alpha*r^2)
      26             :  */
      27      299264 : double libgrpp_gaussian_norm_factor(int n, int l, int m, double alpha) {
      28      299264 :   return pow(2 * alpha / M_PI, 0.75) *
      29      299264 :          pow(4 * alpha, 0.5 * (n + l + m)); /* /
      30             :           sqrt((double) double_factorial(2 * n - 1) *
      31             :                (double) double_factorial(2 * l - 1) *
      32             :                (double) double_factorial(2 * m - 1));*/
      33             : }