pwtools._dcd.read_dcd_data_from_unit

pwtools._dcd.read_dcd_data_from_unit = <fortran function read_dcd_data_from_unit>

cryst_const,coords = read_dcd_data_from_unit(unt,nstep,natoms,convang)

Wrapper for read_dcd_data_from_unit.

Parameters:
  • unt (input int)

  • nstep (input int)

  • natoms (input int)

  • convang (input int)

Returns:

  • cryst_const (rank-2 array(‘d’) with bounds (nstep,6))

  • coords (rank-3 array(‘f’) with bounds (nstep,natoms,3))