sarkas.utilities.io.InputOutput.dump_xyz#

InputOutput.dump_xyz(phase='production', dump_start=0, dump_end=None, dump_skip=1)[source]#

Save the XYZ file by reading Sarkas dumps.

Parameters

  • phase (str) – Phase from which to read dumps. ‘equilibration’ or ‘production’.

  • dump_start (int) – Step number from which to start saving. Default is 0.

  • dump_end (int) – Last step number to save. Default is None.

  • dump_skip (int) – Interval of dumps to skip. Default is 1