From c4ec2fed93b3f287f259204a2c7d52535add056d Mon Sep 17 00:00:00 2001 From: Shibu Meher <56470750+Shibu778@users.noreply.github.com> Date: Mon, 11 Aug 2025 11:53:40 +0530 Subject: [PATCH] Avoid error for empty line in QE --- westpy/relaxation.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/westpy/relaxation.py b/westpy/relaxation.py index ca8ed86..f6f11cc 100644 --- a/westpy/relaxation.py +++ b/westpy/relaxation.py @@ -493,7 +493,7 @@ def _write_new_pw_input(self): for start, line in enumerate(lines): if line: - if line.split()[0] == "ATOMIC_POSITIONS": + if line.split() and line.split()[0] == "ATOMIC_POSITIONS": break # update atomic positions @@ -518,7 +518,7 @@ def _write_new_pw_input(self): for start, line in enumerate(lines): if line: - if line.split()[0] == "ATOMIC_POSITIONS": + if line.split() and line.split()[0] == "ATOMIC_POSITIONS": break # update atomic positions