Fix : plot-tool dipole.py (deepmodeling#3134)

* Update dipole.py * Update dipole.py
YuLiu98 · Nov 10, 2023 · 35bd3a7 · 35bd3a7
1 parent 918445e
commit 35bd3a7
Showing 1 changed file with 1 addition and 5 deletions.
diff --git a/tools/plot-tools/abacus_plot/dipole.py b/tools/plot-tools/abacus_plot/dipole.py
@@ -113,11 +113,7 @@ def alpha(self,dirc: int):
         efield=self.padding(self.efield_data[dirc])
         dipole_fft = np.fft.fft(dipole)
         efield_fft = np.fft.fft(efield)
-        numerator=dipole_fft*efield_fft.conjugate()
-        denominator=efield_fft*efield_fft.conjugate()
-        #added to avoid zero division
-        denominator=0.01*max(denominator)+denominator
-        alpha = np.abs((numerator/denominator).imag)
+        alpha = np.abs((dipole_fft/efield_fft).imag)
         return alpha
 
     def plot_abs(self, fig: Figure, ax: axes.Axes, directions: list = [0, 1, 2], x_range: list = [], unit: str = 'eV'):