Coupling Functions Module
Coupling Calculations Module
This module contains functions for coupling calculations in vibrational coupling Hamiltonians.
Functions
linear_coupling()
: Computes the linear coupling.
Variables
coupling_funct
: Dictionary of coupling functions.n_var
: Dictionary of the number of variables for each function.initial_guesses
: Dictionary of initial guesses for each potential type.
- couplingfunct.linear_coupling(q, k1)[source]
Compute the linear coupling function.
- qtf.Tensor
Tensor of displacements with dtype tf.float32.
- k1tf.Tensor or float
Tensor representing the coupling constant with dtype tf.float32.
- tf.Tensor
Tensor of linear coupling values with dtype tf.float32.
>>> q = tf.constant([1.0, 2.0, 3.0], dtype=tf.float32) >>> k1 = tf.constant(0.5, dtype=tf.float32) >>> linear_coupling(q, k1) <tf.Tensor: shape=(3,), dtype=float32, numpy=array([0.5, 1.0, 1.5], dtype=float32)>
- Parameters:
q (Tensor) –
k1 (Tensor) –
- Return type:
Tensor