ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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utils/include/utils/math/gaussian.hpp
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1/*
2 * Copyright (C) 2010-2022 The ESPResSo project
3 *
4 * This file is part of ESPResSo.
5 *
6 * ESPResSo is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * ESPResSo is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with this program. If not, see <http://www.gnu.org/licenses/>.
18 */
19#ifndef UTILS_MATH_GAUSSIAN_HPP
20#define UTILS_MATH_GAUSSIAN_HPP
21
22#include "utils/Vector.hpp"
23
24#include <cmath>
25
26namespace Utils {
27inline double gaussian(Vector3d x, Vector3d x0, double sigma) {
28 return std::exp(-((x - x0).norm2() / (2. * sigma * sigma)));
29}
30
31inline Utils::Vector3d del_gaussian(Vector3d x, Vector3d x0, double sigma) {
32 return -(x - x0) * gaussian(x, x0, sigma) / (sigma * sigma);
33}
34} // namespace Utils
35
36#endif // UTILS_MATH_GAUSSIAN_HPP
Vector implementation and trait types for boost qvm interoperability.
Utils::Vector3d del_gaussian(Vector3d x, Vector3d x0, double sigma)
double gaussian(Vector3d x, Vector3d x0, double sigma)