Merge pull request #9 from GaoheHu/pol_imag-fix

Fix: Imaginary polarizability
jensengrouppsu · Jul 17, 2024 · 33a903c · 33a903c
2 parents b5cf6fd + 5563faf
commit 33a903c
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/chemPackage/ams/polarizability.py b/src/chemPackage/ams/polarizability.py
@@ -26,7 +26,7 @@ def __aoresponse(self, f, indices):
             ln = f[ix+1].split()
             self.e_frequencies = append(self.e_frequencies, float(ln[2]))
             # Collect tensor.  Different for real and complex.
-            if f[ix+14] ==" Imaginary Polarizability tensor:":
+            if f[ix+14].strip() =="IMAGINARY POLARIZABILITY":
            #if 'LIFETIME' in self.subkey:
                 s = ix + 8
                 e = ix + 11