Add ability to set bounds for find_k

blochsolver
jan 6 years ago
parent f312d73503
commit 16f97d7f6b

@ -464,7 +464,9 @@ def find_k(frequency: float,
G_matrix: numpy.ndarray, G_matrix: numpy.ndarray,
epsilon: field_t, epsilon: field_t,
mu: field_t = None, mu: field_t = None,
band: int = 0 band: int = 0,
k_min: float = 0,
k_max: float = 0.5,
) -> Tuple[numpy.ndarray, float]: ) -> Tuple[numpy.ndarray, float]:
""" """
Search for a bloch vector that has a given frequency. Search for a bloch vector that has a given frequency.
@ -489,8 +491,10 @@ def find_k(frequency: float,
f = numpy.sqrt(numpy.abs(numpy.real(n[band]))) f = numpy.sqrt(numpy.abs(numpy.real(n[band])))
return f return f
res = scipy.optimize.minimize_scalar(lambda x: abs(get_f(x, band) - frequency), 0.25, res = scipy.optimize.minimize_scalar(lambda x: abs(get_f(x, band) - frequency),
method='Bounded', bounds=(0, 0.5), (k_min + k_max) / 2,
method='Bounded',
bounds=(k_min, k_max),
options={'xatol': abs(tolerance)}) options={'xatol': abs(tolerance)})
return res.x * direction, res.fun + frequency return res.x * direction, res.fun + frequency

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