Ideally we'll conform to the extxyz format https://github.com/libAtoms/extxyz that can be parsed by e.g. ASE and can embed other info in the coment line, such as time and perhaps others.
Original issue: https://github.com/ispg-group/fms90-redux/issues/135
Ideally we'll conform to the extxyz format https://github.com/libAtoms/extxyz that can be parsed by e.g. ASE and can embed other info in the coment line, such as time and perhaps others.
Original issue: https://github.com/ispg-group/fms90-redux/issues/135