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gaspype
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added weighting coefficient for better stability

This commit is contained in:
Nicolas Kruse 2025-06-24 10:55:37 +02:00 committed by Nicolas Kruse
parent fe5bf70d83
commit 5172d3721e
1 changed files with 7 additions and 3 deletions
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10
src/gaspype/_solver.py
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@ -88,6 +88,8 @@ def equilibrium_eq(fs: fluid_system, element_composition: FloatArray, t: float,
# global count
# count = 0
weighting = 100
def residuals(logn: FloatArray) -> tuple[FloatArray, FloatArray]:
# global count
# count += 1
@ -103,11 +105,13 @@ def equilibrium_eq(fs: fluid_system, element_composition: FloatArray, t: float,
j_eq = a - a_sum * n / n_sum
# Residuals from elemental balance:
el_error = np.dot(el_matrix, n)
resid_ab = np.log(el_error) - element_norm_log
el_sum = np.dot(el_matrix, n)
resid_ab = weighting * (np.log(el_sum) - element_norm_log)
# print(el_sum, element_norm)
# Jacobian
j_ab = el_matrix * n / el_error[:, np.newaxis]
j_ab = weighting * el_matrix * n / el_sum[:, np.newaxis]
return (np.hstack([resid_eq, resid_ab]), np.concatenate([j_eq, j_ab], axis=0))