From 50906515cea0f3cf800c045a8cc9edbfdbd90ddb Mon Sep 17 00:00:00 2001 From: Liang Jianxin <2509426238@qq.com> Date: Sat, 11 May 2024 17:42:58 +0800 Subject: [PATCH] Update pwmat.py fix a bug --- phonopy/interface/pwmat.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/phonopy/interface/pwmat.py b/phonopy/interface/pwmat.py index 7b2a33d9..9cf63b4b 100644 --- a/phonopy/interface/pwmat.py +++ b/phonopy/interface/pwmat.py @@ -165,12 +165,12 @@ def get_pwmat_structure(cell): ) if mag_mom is not None and len(mag_mom) == len(cell.numbers): - if len(mag_mom[0]) == 1: + if np.size(mag_mom[0]) == 1: line.append("magnetic") for number, mag in zip(numbers, mag_mom): line.append(f" {number} {mag:.16f}") - if len(mag_mom[0]) == 3: + if np.size(mag_mom[0]) == 3: line.append("magnetic_xyz") for number, mag in zip(numbers, mag_mom): line.append(f" {number} {mag[0]:.6f} {mag[1]:.6f} {mag[2]:.6f}")