From a2403b7cc55d8f9e3180fcfa7638b95159ecd624 Mon Sep 17 00:00:00 2001
From: Jiacheng Wang <63186896+jcwang587@users.noreply.github.com>
Date: Thu, 23 Apr 2026 14:48:05 -0400
Subject: [PATCH] fix for non-symmetric

---
 pypl/hr_factors.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/pypl/hr_factors.py b/pypl/hr_factors.py
index f0e0406..6b06f44 100644
--- a/pypl/hr_factors.py
+++ b/pypl/hr_factors.py
@@ -260,7 +260,7 @@ def compute_hrf_dis(self, gs_coord, es_coord, cell_parameters):
         The computed Huang-Rhys factors are stored in ``self.hrf``.
         """
 
-        inv_cell = np.linalg.inv(cell_parameters.T)
+        inv_cell = np.linalg.inv(cell_parameters)
         gs_frac = np.dot(gs_coord, inv_cell)
         es_frac = np.dot(es_coord, inv_cell)
         dis_frac = es_frac - gs_frac