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))