From db366cc4ed7ad320678776866086eeaa1a408ec3 Mon Sep 17 00:00:00 2001
From: Kevin Gasperich <kgasperich@gmail.com>
Date: Tue, 1 Jun 2021 11:35:49 -0500
Subject: [PATCH] account for kmesh==None or [] in pyscf pbc converter

---
 src/utils_complex/MolPyscfToQPkpts.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/utils_complex/MolPyscfToQPkpts.py b/src/utils_complex/MolPyscfToQPkpts.py
index 8637651a..45e9644a 100644
--- a/src/utils_complex/MolPyscfToQPkpts.py
+++ b/src/utils_complex/MolPyscfToQPkpts.py
@@ -133,7 +133,7 @@ def get_supcellPhase(cell, kpts=[], kmesh=[]):
     from pyscf import lib
 
     latt_vec = cell.lattice_vectors()
-    if len(kmesh)== 0:
+    if not bool(kmesh):
         # Guess kmesh
         scaled_k = cell.get_scaled_kpts(kpts).round(8)
         kmesh = (len(np.unique(scaled_k[:,0])),