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Fix other references of polynomial_least_square_fitting
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singularitti committed Dec 20, 2023
1 parent 41d237d commit 4394248
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion src/qha/grid_interpolation.py
Original file line number Diff line number Diff line change
Expand Up @@ -203,7 +203,7 @@ def approach_to_best_ratio(
vr.interpolate_volumes()
strains, finer_volumes = vr.strains, vr.out_volumes
eulerian_strain = calculate_eulerian_strain(volumes[0], volumes)
_, f_v_tmax = polynomial_least_square_fitting(
f_v_tmax = polynomial_least_square_fitting(
eulerian_strain, free_energies, strains, self.option
)
p_v_tmax = -np.gradient(f_v_tmax) / np.gradient(finer_volumes)
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2 changes: 1 addition & 1 deletion src/qha/tools.py
Original file line number Diff line number Diff line change
Expand Up @@ -122,7 +122,7 @@ def calibrate_energy_on_reference(
strains_after_calibration = calculate_eulerian_strain(
volumes_before_calibration[i, 0], volumes_for_reference
)
_, energies_after_calibration[i, :] = polynomial_least_square_fitting(
energies_after_calibration[i, :] = polynomial_least_square_fitting(
strains_before_calibration,
energies_before_calibration[i],
strains_after_calibration,
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