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imported exp, erf, pi funtion from math package
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1 changed files with 5 additions and 5 deletions
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@ -2,6 +2,7 @@ from numbers import Integral, Real
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import h5py
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import numpy as np
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from math import exp, erf, pi
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from six import string_types
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from . import WMP_VERSION
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@ -112,9 +113,8 @@ def _broaden_wmp_polynomials(E, dopp, n):
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erf_beta = 1.0
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exp_m_beta2 = 0.0
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else:
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from scipy.special import erf
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erf_beta = erf(beta)
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exp_m_beta2 = np.exp(-beta**2)
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exp_m_beta2 = exp(-beta**2)
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# Assume that, for sure, we'll use a second order (1/E, 1/V, const)
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# fit, and no less.
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@ -124,7 +124,7 @@ def _broaden_wmp_polynomials(E, dopp, n):
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factors[0] = erf_beta / E
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factors[1] = 1.0 / sqrtE
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factors[2] = (factors[0] * (half_inv_dopp2 + E)
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+ exp_m_beta2 / (beta * np.sqrt(np.pi)))
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+ exp_m_beta2 / (beta * np.sqrt(pi)))
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# Perform recursive broadening of high order components. range(1, n-2)
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# replaces a do i = 1, n-3. All indices are reduced by one due to the
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@ -435,7 +435,7 @@ class WindowedMultipole(EqualityMixin):
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h5file = h5py.File(group_or_filename, 'r')
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try:
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version = h5file['version'].value.decode()
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except:
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except AttributeError:
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version = h5file['version'].value[0].decode()
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if version != WMP_VERSION:
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raise ValueError('The given WMP data uses version '
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@ -621,7 +621,7 @@ class WindowedMultipole(EqualityMixin):
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# At temperature, use Faddeeva function-based form.
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for i_pole in range(startw, endw):
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Z = (sqrtE - self.data[i_pole, _MP_EA]) * dopp
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w_val = _faddeeva(Z) * dopp * invE * np.sqrt(np.pi)
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w_val = _faddeeva(Z) * dopp * invE * np.sqrt(pi)
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if self.formalism == 'MLBW':
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sigT += ((self.data[i_pole, _MLBW_RT] *
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sigT_factor[self.l_value[i_pole]-1] +
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