pwtools._dcd.read_dcd_data

pwtools._dcd.read_dcd_data = <fortran function read_dcd_data>

cryst_const,coords = read_dcd_data(filename,nstep,natoms,convang)

Wrapper for read_dcd_data.

Parameters:

• filename (input string(len=1024))

• 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))