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More clean-up of the NSE solver #680

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Nov 1, 2023
Merged

More clean-up of the NSE solver #680

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18 changes: 8 additions & 10 deletions pynucastro/networks/nse_network.py
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Original file line number Diff line number Diff line change
@@ -1,4 +1,3 @@
import copy
import warnings

import numpy as np
Expand All @@ -16,7 +15,7 @@ class NSENetwork(RateCollection):

def _evaluate_n_e(self, state, Xs):

m_u = constants.value("unified atomic mass unit") * 1.0e3 # atomic unit mass in g
m_u = constants.value("unified atomic mass unit") * constants.kilo # atomic unit mass in g

n_e = 0.0
for nuc in self.unique_nuclei:
Expand All @@ -38,8 +37,8 @@ def _evaluate_mu_c(self, n_e, state, use_coulomb_corr=True):
assert state.ye >= ye_low and state.ye <= ye_max, "input electron fraction goes outside of scope for current network"

# Setting up the constants needed to compute mu_c
k = constants.value("Boltzmann constant") * 1.0e7 # boltzmann in erg/K
Erg2MeV = 624151.0
k = constants.value("Boltzmann constant") / constants.erg # boltzmann in erg/K
Erg2MeV = constants.erg / (constants.eV * constants.mega)

# u_c is the coulomb correction term for NSE
# Calculate the composition at NSE, equations found in appendix of Calder paper
Expand Down Expand Up @@ -136,21 +135,20 @@ def get_comp_nse(self, rho, T, ye, init_guess=(-3.5, -15), tol=1.0e-11, use_coul
Xs = {}

j = 0
init_guess = np.array(init_guess)
is_pos_old = False
found_sol = False

# Filter out runtimewarnings from fsolve, here we check convergence by np.isclose
warnings.filterwarnings("ignore", category=RuntimeWarning)

# This nested loops should fine-tune the initial guess if fsolve is unable to find a solution
while j < 20:
i = 0
guess = copy.deepcopy(init_guess)
guess = init_guess.copy()
init_dx = 0.5

while i < 20:
u = fsolve(self._constraint_eq, guess, args=(u_c, state), xtol=tol, maxfev=800)
# Filter out runtimewarnings from fsolve, here we check convergence by np.isclose
with warnings.catch_warnings():
warnings.filterwarnings("ignore", category=RuntimeWarning)
u = fsolve(self._constraint_eq, guess, args=(u_c, state), xtol=tol, maxfev=800)
Xs = self._nucleon_fraction_nse(u, u_c, state)
n_e = self._evaluate_n_e(state, Xs)
u_c = self._evaluate_mu_c(n_e, state, use_coulomb_corr)
Expand Down
10 changes: 5 additions & 5 deletions pynucastro/networks/tests/test_nse.py
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Expand Up @@ -23,11 +23,11 @@ def test_nse_coul(self, pynet):
xsum = sum(nse_Xs)

assert xsum == pytest.approx(1.0, rel=1.0e-10)
assert nse_Xs[0] == pytest.approx(0.009432537995151131, rel=1.0e-10)
assert nse_Xs[1] == pytest.approx(0.44084123981111556, rel=1.0e-10)
assert nse_Xs[2] == pytest.approx(0.007118462392324697, rel=1.0e-10)
assert nse_Xs[3] == pytest.approx(0.518789589733321, rel=1.0e-10)
assert nse_Xs[4] == pytest.approx(0.02381817006811494, rel=1.0e-10)
assert nse_Xs[0] == pytest.approx(0.009432537946799463, rel=1.0e-10)
assert nse_Xs[1] == pytest.approx(0.44084124304595085, rel=1.0e-10)
assert nse_Xs[2] == pytest.approx(0.007118462329310183, rel=1.0e-10)
assert nse_Xs[3] == pytest.approx(0.51878958707397, rel=1.0e-10)
assert nse_Xs[4] == pytest.approx(0.023818169603975755, rel=1.0e-10)

def test_nse_no_coul(self, pynet):

Expand Down