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create-3layers.sh
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create-3layers.sh
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#!/bin/sh
i=0
submitted=0
for M1 in Mo W
do
for X1 in S Se Te
do
for M2 in Mo W
do
for X2 in S Se Te
do
for M3 in Mo W
do
for X3 in S Se Te
do
symm_index=0
echo $M1${X1}2-$M2${X2}2-$M3${X3}2
third=${M3}${X3}
second=${M2}${X2}
first=${M1}${X1}
if [[ $first == MoS ]]
then
symm_index=$((symm_index+0))
elif [[ $first == MoSe ]]
then
symm_index=$((symm_index+1))
elif [[ $first == MoTe ]]
then
symm_index=$((symm_index+2))
elif [[ $first == WS ]]
then
symm_index=$((symm_index+3))
elif [[ $first == WSe ]]
then
symm_index=$((symm_index+4))
else
symm_index=$((symm_index+5))
fi
if [[ $second == MoS ]]
then
symm_index=$((symm_index+0))
elif [[ $second == MoSe ]]
then
symm_index=$((symm_index+6))
elif [[ $second == MoTe ]]
then
symm_index=$((symm_index+12))
elif [[ $second == WS ]]
then
symm_index=$((symm_index+18))
elif [[ $second == WSe ]]
then
symm_index=$((symm_index+24))
else
symm_index=$((symm_index+30))
fi
if [[ $third == MoS ]]
then
symm_index=$((symm_index+0))
elif [[ $third == MoSe ]]
then
symm_index=$((symm_index+36))
elif [[ $third == MoTe ]]
then
symm_index=$((symm_index+72))
elif [[ $third == WS ]]
then
symm_index=$((symm_index+108))
elif [[ $third == WSe ]]
then
symm_index=$((symm_index+144))
else
symm_index=$((symm_index+180))
fi
echo "i = "$i" symm_index = "$symm_index
if (( $i > $symm_index ))
then
echo "already submitted "$M1${X1}2-$M2${X2}2-$M3${X3}2
else
echo "submitting "$M1${X1}2-$M2${X2}2-$M3${X3}2
submitted=$((submitted+1))
python snl_prep.py -s $M1${X1}2-$M2${X2}2-$M3${X3}2 -d .
fi
i=$((i+1))
done
done
done
done
done
done
echo $submitted