pwtools._flib.angles

pwtools._flib.angles = <fortran function angles>

anglesijk = angles(distvecs,dists,mask_val,deg,anglesijk,[natoms,overwrite_anglesijk])

Wrapper for angles.

Parameters:

• distvecs (input rank-3 array('d') with bounds (natoms,natoms,3)) –

• dists (input rank-2 array('d') with bounds (natoms,natoms)) –

• mask_val (input float) –

• deg (input int) –

• anglesijk (input rank-3 array('d') with bounds (natoms,natoms,natoms)) –

• overwrite_anglesijk (input int, optional) – Default: 1

• natoms (input int, optional) – Default: shape(distvecs, 0)

Returns:

anglesijk

Return type:

rank-3 array(‘d’) with bounds (natoms,natoms,natoms)