include last step of trajectory

materialsproject · Jan 27, 2023 · 3971037 · 3971037
1 parent 38843a5
commit 3971037
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/mpmorph/jobs/lammps_volume.py b/src/mpmorph/jobs/lammps_volume.py
@@ -67,7 +67,7 @@ def make(self, temperature: int,
 
         # Build trajectory from LAMMPS output .xyz file
         with open("trajectory.lammpstrj", "r+") as f:
-            atoms = read_lammps_dump_text(f, index=slice(-1))
+            atoms = read_lammps_dump_text(f, index=slice(0, None))
 
         structs = []