epraya.JRotationmat

JRotationmat(Exp)

Creates the rotation matrix to pass from the Lab frame to the molecular frame.

Parameters:

Exp (Class) – Container for the experimental conditions.

Returns:

RRmatrix (jax.np.array) – Matrix for the rotation.

Example

>>> import epraya as epr
>>> _, Exp, _=epr.Jstart()
>>> Exp.Sampleframe=[30,20,0]
>>> Exp.Molframe=[60,0,0]
>>> print(epr.JRotationmat(Exp))
[[ 0.49999997 -0.86602545  0.        ]
[ 0.          0.49999997  0.        ]
[ 0.          0.          1.        ]]