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Update src/nmreval/models/diffusion.py

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This commit is contained in:
Dominik Demuth 2025-05-02 11:32:51 +00:00
parent e4c54b7104
commit e5a74f3af2
1 changed files with 2 additions and 1 deletions
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src/nmreval/models/diffusion.py
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@ -111,7 +111,8 @@ class AnisotropicDiffusion(object):
t = 2 * tp / 3 + tm t = 2 * tp / 3 + tm
# Callaghan eq (6.89) # Callaghan eq (6.89)
if HAS_C_FUNCS: if HAS_C_FUNCS:
diffusion_decay = AnisotropicDiffusion._integrate_c(q, t, d_perp, d_par) # divide by 2 to normalize by integral sin(x), x=0..pi
diffusion_decay = AnisotropicDiffusion._integrate_c(q, t, d_perp, d_par) / 2
else: else:
z = np.sqrt(q**2 * (d_par - d_perp) * t) z = np.sqrt(q**2 * (d_par - d_perp) * t)
diffusion_decay = np.exp(-q**2 * t * d_perp) * special.erf(z) / z diffusion_decay = np.exp(-q**2 * t * d_perp) * special.erf(z) / z