From 241008679b97198462e165a77b9f95135745937b Mon Sep 17 00:00:00 2001 From: Yixiao Chen Date: Fri, 7 Jun 2019 12:23:21 -0400 Subject: [PATCH] fix buG --- dpdata/lammps/dump.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dpdata/lammps/dump.py b/dpdata/lammps/dump.py index 1af637d35..06da27c81 100644 --- a/dpdata/lammps/dump.py +++ b/dpdata/lammps/dump.py @@ -178,7 +178,7 @@ def system_data(lines, type_map = None, type_idx_zero = True) : bounds, tilt = get_dumpbox(array_lines[ii]) orig, cell = dumpbox2box(bounds, tilt) system['cells'].append(cell) - system['coords'].append(safe_get_posi(lines, cell) - np.array(orig)) + system['coords'].append(safe_get_posi(array_lines[ii], cell) - np.array(orig)) system['cells'] = np.array(system['cells']) system['coords'] = np.array(system['coords']) return system