Handle mesh

sunqm · Jan 31, 2024 · 0187133 · 0187133
1 parent 92ed8b8
commit 0187133
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/pyscf/pbc/gto/cell.py b/pyscf/pbc/gto/cell.py
@@ -98,6 +98,8 @@ def dumps(cell):
     celldic['basis']= repr(cell.basis)
     celldic['pseudo'] = repr(cell.pseudo)
     celldic['ecp'] = repr(cell.ecp)
+    # Explicitly convert mesh because it is often created as numpy array
+    celldic['mesh'] = list(cell.mesh)
 
     try:
         return json.dumps(celldic)