DumpGRO.hpp

Go to the documentation of this file.

// Copyright 2024 Sebastian Eibl
// Copyright 2026 Julian Friedrich Hille
//
// Licensed under the Apache License, Version 2.0 (the "License");
// you may not use this file except in compliance with the License.
// You may obtain a copy of the License at
//
//     https://www.apache.org/licenses/LICENSE-2.0
//
// Unless required by applicable law or agreed to in writing, software
// distributed under the License is distributed on an "AS IS" BASIS,
// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
// See the License for the specific language governing permissions and
// limitations under the License.
 
#pragma once
 
#include "data/Atoms.hpp"
#include "data/Subdomain.hpp"
 
namespace mrmd
{
namespace io
{
void dumpGRO(const std::string& filename,
             data::Atoms& atoms,
             const data::Subdomain& subdomain,
             const real_t& timestamp,
             const std::string& title,
             const std::string& resName,
             const std::vector<std::string>& typeNames,
             bool dumpGhosts = true,
             bool dumpVelocities = false);
}  // namespace io
}  // namespace mrmd