bug fix for -l flag

N720720 · Jan 26, 2022 · 31cbdea · 31cbdea
1 parent 7fb9b84
commit 31cbdea
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/.gitignore b/.gitignore
@@ -620,4 +620,4 @@ MigrationBackup/
 lindemann_per_frame.txt
 lindemann_per_frame.pdf
 lindemann_per_atom.txt
-
+get-poetry.py
diff --git a/lindemann/main.py b/lindemann/main.py
@@ -146,7 +146,7 @@ def main(
     elif lammpstrj and single_process:
         indices_per_atom = per_atoms.calculate(tjr_frames)
 
-        console.print(f"[magenta]{save.to_lammps(trjfile,indices_per_atom)}[/]")
+        console.print(f"[magenta]{save.to_lammps(str(trjfile[0]),indices_per_atom)}[/]")
         raise typer.Exit()
     elif lammpstrj and not single_process:
         print("multiprocessing is implemented only for the -t flag")

diff --git a/pyproject.toml b/pyproject.toml
@@ -6,7 +6,7 @@ build-backend = "poetry.masonry.api"
 
 [tool.poetry]
 name = "lindemann"
-version = "0.5.0"
+version = "0.5.1"
 description = "lindemann is a python package to calculate the Lindemann index  of a lammps trajectory as well as the progression of the Lindemann index per frame of temperature ramps  for phase transition analysis."
 readme = "README.md"
 authors = [