pwtools._dcd.get_dcd_file_info

pwtools._dcd.get_dcd_file_info = <fortran function get_dcd_file_info>

nstep,natoms,timestep = get_dcd_file_info(filename,nstephdr)

Wrapper for get_dcd_file_info.

Parameters:
  • filename (input string(len=1024))

  • nstephdr (input int)

Returns:

  • nstep (int)

  • natoms (int)

  • timestep (float)