simphony / simphony-lammps

The LAMMPS engine-wrapper for the SimPhoNy framework
http://www.simphony-project.eu/
BSD 2-Clause "Simplified" License
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Fix internal simulation box error #91

Closed nathanfranklin closed 9 years ago

nathanfranklin commented 9 years ago

This PR fixes #89 by properly outputting the atom coordinates when generating the create_atoms lammps-command

nathanfranklin commented 9 years ago

@TobiasRasp , this fixes #89.