Apply suggestions from code review

alinelena · oerc0122 · web-flow · commit 162f44237d9c · 2026-05-15T15:17:02.000+01:00
Co-authored-by: Jacob Wilkins &lt;46597752+oerc0122@users.noreply.github.com&gt;
diff --git a/janus_core/processing/tdep.py b/janus_core/processing/tdep.py
@@ -97,7 +97,7 @@ def build_tdep_inputs_from_nvt(
 
     with open(positions_path, "w", encoding="utf-8") as file:
         file.writelines(
-            f"{position[0]:.12f} {position[1]:.12f} {position[2]:.12f}\n"
+            " ".join(map(out_fmt, position) + "\n"
             for atoms in trajectory
             for position in atoms.get_scaled_positions()
         )

Original file line number	Diff line number	Diff line change
`@@ -97,7 +97,7 @@ def build_tdep_inputs_from_nvt(`
`97`	`97`
`98`	`98`	`with open(positions_path, "w", encoding="utf-8") as file:`
`99`	`99`	`file.writelines(`
`100`		`- f"{position[0]:.12f} {position[1]:.12f} {position[2]:.12f}\n"`
	`100`	`+ " ".join(map(out_fmt, position) + "\n"`
`101`	`101`	`for atoms in trajectory`
`102`	`102`	`for position in atoms.get_scaled_positions()`
`103`	`103`	`)`