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read_xyz.cuh
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read_xyz.cuh
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/*
Copyright 2017 Zheyong Fan, Ville Vierimaa, Mikko Ervasti, and Ari Harju
This file is part of GPUMD.
GPUMD 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.
GPUMD 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 GPUMD. If not, see <http:https://www.gnu.org/licenses/>.
*/
#pragma once
class Box;
class Neighbor;
class Group;
class Atom;
#include "utilities/gpu_vector.cuh"
#include <vector>
void initialize_position(
int& has_velocity_in_xyz, int& number_of_types, Box& box, std::vector<Group>& group, Atom& atom);
void allocate_memory_gpu(std::vector<Group>& group, Atom& atom, GPU_Vector<double>& thermo);