moldyn.cpp 408 Bytes
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/**
 * loads atom dynamics file
 * @author Tobias Weber <tweber@ill.fr>
 * @date Dec-2019
 * @license GPLv3, see 'LICENSE' file
 *
 * g++ -std=c++17  -I ../../tlibs2 -o moldyn moldyn.cpp
 */

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#include "moldyn.h"
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using t_real = double;
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using t_vec = std::vector<t_real>;
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int main(int argc, char** argv)
{
	if(argc <= 1)
		return -1;

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	MolDyn<t_real, t_vec> mol;
	mol.LoadFile(argv[1], 100);
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	return 0;
}