From bf01d7bcd4d378c2aa9de28b92f3669e420d3fa7 Mon Sep 17 00:00:00 2001
From: Simon Blackburn <simon.blackburn@mila.quebec>
Date: Fri, 23 Feb 2024 15:08:22 -0500
Subject: [PATCH] code review part 2

---
 crystal_diffusion/data/parse_lammps_outputs.py | 2 +-
 data/lammps_input_example.lammps               | 2 +-
 data/run_lammps_example.sh                     | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/crystal_diffusion/data/parse_lammps_outputs.py b/crystal_diffusion/data/parse_lammps_outputs.py
index b23ddb5f..0aecf232 100644
--- a/crystal_diffusion/data/parse_lammps_outputs.py
+++ b/crystal_diffusion/data/parse_lammps_outputs.py
@@ -10,7 +10,7 @@ def parse_lammps_output(lammps_dump: str, lammps_thermo_log: str, output_name: s
 
     Args:
         lammps_dump: LAMMPS output file
-        lammps_thermo_log: LAMMPS
+        lammps_thermo_log: LAMMPS thermodynamic variables output file
         output_name: name of parsed output written by the script
     """
     if not os.path.exists(lammps_dump):
diff --git a/data/lammps_input_example.lammps b/data/lammps_input_example.lammps
index 9531b57d..4aca590e 100755
--- a/data/lammps_input_example.lammps
+++ b/data/lammps_input_example.lammps
@@ -16,7 +16,7 @@ mass 1 28.0855
 group Si type 1
 
 pair_style sw
-pair_coeff * * data/si.sw Si
+pair_coeff * *si.sw Si
 
 velocity   all create ${T} 62177
 
diff --git a/data/run_lammps_example.sh b/data/run_lammps_example.sh
index f0262196..4e639cfe 100644
--- a/data/run_lammps_example.sh
+++ b/data/run_lammps_example.sh
@@ -3,4 +3,4 @@
 TEMPERATURE=300
 BOX_SIZE=1
 
-lmp < data/lammps_input_example.lammps -v STEP 10 -v T $TEMPERATURE -v S $BOX_SIZE
\ No newline at end of file
+lmp < lammps_input_example.lammps -v STEP 10 -v T $TEMPERATURE -v S $BOX_SIZE
\ No newline at end of file