[fix]: Adding signal in POTCAR name for correction with amplitude -1

gmsn-ita · Jun 8, 2021 · 684270b · 684270b
1 parent 21ebe56
commit 684270b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/minushalf/utils/atomic_potential.py b/minushalf/utils/atomic_potential.py
@@ -127,7 +127,7 @@ def correct_file(
             amplitude = abs(amplitude) * -1
 
         filename = ""
-        if np.isclose(abs(amplitude), 1.0):
+        if np.isclose(amplitude, 1.0):
             filename = "{}cut{:.2f}".format(self.potential_file.get_name(),
                                             cut)
         else: