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)