lyg-ucl / VASP_MD_XDAT

This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz output.

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XDAT

This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz output.

XDAT: a tool for VASP MD trajectory Copyright (C) 2016 by Yunguo Li

XDAT is a 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.

XDAT 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 XDAT (in the file COPYING in this directory). If not, see http://www.gnu.org/licenses/.

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This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz output.

License:GNU General Public License v3.0


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Language:Fortran 100.0%