error in run_lammps

mila-iqia · Feb 26, 2024 · fe1120c · fe1120c
1 parent 9550c93
commit fe1120c
Showing 1 changed file with 0 additions and 2 deletions.
diff --git a/data/run_lammps_example.sh b/data/run_lammps_example.sh
@@ -8,5 +8,3 @@ lmp < lammps_input_example.lammps -v STEP 10 -v T $TEMPERATURE -v S $BOX_SIZE
 
 # extract the thermodynamic outputs in a yaml file
 egrep  '^(keywords:|data:$|---$|\.\.\.$|  - \[)' log.lammps > log.yaml
-
-lmp < lammps_input_example.lammps -v STEP 10 -v T $TEMPERATURE -v S $BOX_SIZE