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{BACK:Modules} This module runs cuby calculation on a series of geometries. The geometries can be prepared by script [geometry_scan]. Input file should contain definition of the calculation, including the keyword ::job::. The default format of the series of geometries (a trajectory) is .xyz file. If the information in .xyz file is not enough for the calculation (example: calculation uses atom types that are stored in PDB format only), a template geometry in any [format|File formats] supported by cuby can be provided using commandline option '''-g'''. This template geometry is the updated with coordinates from the trajectory.
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