BUG: Fixed bug with xmask not defined

libAtoms · Sep 27, 2023 · eb581b7 · eb581b7
1 parent 1d036e9
commit eb581b7
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/scripts/fracture_mechanics/parallel_NCFlex.py b/scripts/fracture_mechanics/parallel_NCFlex.py
@@ -688,10 +688,10 @@ def main(K_range,alpha_range):
     ypos = pos[:,1] - sy/2
 
     #find the closest y atoms by finding which atoms lie within 1e-2 of the min
-    closest_y_mask = np.abs(ypos)<(np.min(np.abs(ypos[xmask]))+(1e-2))
-
     #filter out all atoms with x less than 0
     xmask = xpos>0
+    closest_y_mask = np.abs(ypos)<(np.min(np.abs(ypos[xmask]))+(1e-2))
+
 
     #find the x positions of these atoms
     closest_x = xpos[closest_y_mask&xmask]