ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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CylindricalLBVelocityProfile.cpp
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1/*
2 * Copyright (C) 2016-2022 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
21
22#include "system/System.hpp"
23#include "utils_histogram.hpp"
24
25#include <utils/Histogram.hpp>
27
28#include <vector>
29
30namespace Observables {
31
33 boost::mpi::communicator const &comm) const {
34 using vel_type = Utils::Vector3d;
35
36 decltype(sampling_positions) local_positions{};
37 std::vector<vel_type> local_velocities{};
38
39 auto &lb = System::get_system().lb;
40 auto const vel_conv = lb.get_lattice_speed();
41 lb.ghost_communication_vel();
42
43 for (auto const &pos : sampling_positions) {
44 if (auto const vel = lb.get_interpolated_velocity(pos)) {
45 auto const pos_shifted = pos - transform_params->center();
47 pos_shifted, transform_params->axis(),
48 transform_params->orientation());
50 (*vel) * vel_conv, transform_params->axis(), pos_shifted);
51
52 local_positions.emplace_back(pos_cyl);
53 local_velocities.emplace_back(vel_cyl);
54 }
55 }
56
57 auto const [global_positions, global_velocities] =
58 detail::gather(comm, local_positions, local_velocities);
59
60 if (comm.rank() != 0) {
61 return {};
62 }
63
65 detail::accumulate(histogram, global_positions, global_velocities);
66 return detail::normalize_by_bin_size(histogram);
67}
68
69} // namespace Observables
std::vector< double > operator()(boost::mpi::communicator const &comm) const override
std::shared_ptr< Utils::CylindricalTransformationParameters > transform_params
Histogram in cylindrical coordinates.
Convert coordinates from the Cartesian system to the cylindrical system.
System & get_system()
VectorXd< 3 > Vector3d
Definition Vector.hpp:164
Vector3d transform_vector_cartesian_to_cylinder(Vector3d const &vec, Vector3d const &axis, Vector3d const &pos)
Vector transformation from Cartesian to cylindrical coordinates.
Vector3d transform_coordinate_cartesian_to_cylinder(Vector3d const &pos)
Coordinate transformation from Cartesian to cylindrical coordinates.
auto get_lattice_speed() const
Get the lattice speed (agrid/tau).