pwtools.io.read_cp2k_md_dcd

pwtools.io.read_cp2k_md_dcd = <pwtools.io.ReadFactory object>

Read CP2K MD run ouput (coordinates in dcd binary format).

Parameters:

  • filename (str) – Name of the file to parse.

  • **kwds (keywords args) – passed to the parser class (e.g. units=…)

Returns:

ret

Return type:

Structure (SCF runs) or Trajectory (MD-like runs)