physics/pysuperconductor
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uses scipy expit to handle overflow smarter
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This commit is contained in:
Deepak Mallubhotla 2020-11-24 19:05:18 -06:00
parent 54917655cd
commit bba1643c76
1 changed files with 5 additions and 6 deletions
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11
pysuperconductor/os_gap_calc.py
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@ -1,6 +1,7 @@
import numpy # type: ignore import numpy # type: ignore
import scipy.integrate as integrate # type: ignore import scipy.integrate as integrate # type: ignore
import scipy.optimize # type: ignore import scipy.optimize # type: ignore
import scipy.special # type: ignore
import logging import logging
import warnings import warnings
@ -59,8 +60,8 @@ def n_integrand_function(
xi: float, temp: float, delta: float, mu_star: float xi: float, temp: float, delta: float, mu_star: float
) -> float: ) -> float:
big_e = energy(xi, delta) big_e = energy(xi, delta)
left = 1 / (1 + numpy.exp((big_e - mu_star) / temp)) left = scipy.special.expit((mu_star - big_e) / temp)
right = 1 / (1 + numpy.exp(big_e / temp)) right = scipy.special.expit(- big_e / temp)
return left - right return left - right
@ -70,10 +71,8 @@ def n_integral(temp: float, delta: float, mu_star: float) -> float:
return n_integrand_function(xi, temp, delta, mu_star) return n_integrand_function(xi, temp, delta, mu_star)
intermediate = 20 * numpy.sqrt(delta ** 2 + mu_star ** 2) intermediate = 20 * numpy.sqrt(delta ** 2 + mu_star ** 2)
lower = integrate.quad(integrand, 0, intermediate)[0] lower = integrate.quad(integrand, 0, intermediate)[0]
# upper = integrate.quad(integrand, intermediate, numpy.inf)[0] upper = integrate.quad(integrand, intermediate, numpy.inf)[0]
# This upper portion of the integral will typically be completely return lower + upper
# negligible, because we're 20x the relevant scale here.
return lower
def find_gap_for_n( def find_gap_for_n(