RELEASE 1.0

SENPAI-Molecular-Dynamics · Jan 18, 2022 · cc00b21 · cc00b21
1 parent e9cf9dd
commit cc00b21
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diff --git a/examples/1-ethane/render.xyz b/examples/1-ethane/render.xyz
diff --git a/examples/16-water/16-water.sh b/examples/16-water/16-water.sh
@@ -16,16 +16,18 @@ OUTPUT=render.xyz
 DURATION=0.001
 WATER_NB=16
 TARGET_POTENTIAL=0.1
+RANDOM_SEED=1337
 
 echo "[ INFO ] ${SIMULATION_NAME} by ${AUTHOR_NAME}"
 echo "[ INFO ] Starting SENPAI"
 senpai --substrate ${SUBSTRATE}\
-         --solvent ${SOLVENT} \
-         --out ${OUTPUT} \
-         --model ${MODEL} \
-         --time ${DURATION} \
-         --copy ${WATER_NB} \
-         --reduce_potential ${TARGET_POTENTIAL}
+       --solvent ${SOLVENT} \
+       --out ${OUTPUT} \
+       --model ${MODEL} \
+       --time ${DURATION} \
+       --copy ${WATER_NB} \
+       --reduce_potential ${TARGET_POTENTIAL} \
+       --srand ${RANDOM_SEED}
 
 if [ $? -ne 0 ]; then
   echo "[FAILED] SENPAI couldn't execute properly."