MRMD 0.4.0
Multi Resolution Molecular Dynamics
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CountingPlane.hpp
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1// Copyright 2025 Sebastian Eibl
2//
3// Licensed under the Apache License, Version 2.0 (the "License");
4// you may not use this file except in compliance with the License.
5// You may obtain a copy of the License at
6//
7// https://www.apache.org/licenses/LICENSE-2.0
8//
9// Unless required by applicable law or agreed to in writing, software
10// distributed under the License is distributed on an "AS IS" BASIS,
11// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
12// See the License for the specific language governing permissions and
13// limitations under the License.
14
15#pragma once
16
17#include "data/Atoms.hpp"
18#include "datatypes.hpp"
19
20namespace mrmd::analysis
21{
24{
25 Point3D pointOnPlane_;
26 Vector3D planeNormal_;
27 ScalarView distanceToPlane_;
28
29public:
30 CountingPlane(const Point3D &pointOnPlane, const Vector3D &planeNormal);
31
37 void startCounting(data::Atoms &atoms);
38
45 int64_t stopCounting(data::Atoms &atoms);
46};
47} // namespace mrmd::analysis
Counts particles that cross a defined plane between two time steps.
Definition CountingPlane.hpp:24
int64_t stopCounting(data::Atoms &atoms)
Counts how many particles have crossed the plane since startCounting() was called.
Definition CountingPlane.cpp:45
void startCounting(data::Atoms &atoms)
Records the current positions of all particles relative to the plane.
Definition CountingPlane.cpp:27
Data structure for storing information about atoms on the host and the device.
Definition Atoms.hpp:35
Definition AxialDensityProfile.cpp:20
Kokkos::View< real_t * > ScalarView
Definition datatypes.hpp:159
Kokkos::Array< real_t, 3 > Point3D
Definition datatypes.hpp:100
Kokkos::Array< real_t, 3 > Vector3D
Definition datatypes.hpp:101