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obackhouse committed Oct 18, 2024
1 parent 4cee490 commit e8e9c97
Showing 1 changed file with 10 additions and 5 deletions.
15 changes: 10 additions & 5 deletions .github/workflows/bootstrap_all.sh
Original file line number Diff line number Diff line change
Expand Up @@ -4,34 +4,39 @@ for method in MPn; do
for n in 2 3; do
for i in rhf uhf ghf; do
echo "Bootstrapping $method ($i) (order=$n)"
python -W ignore bootstrap_${method}.py $i $n &
python -W ignore bootstrap_${method}.py $i $n &> output_${method}_${i}_${n}.dat &
done
done
done

for method in CCD CCSD QCISD CC2 DCD DCSD; do
for i in rhf uhf ghf; do
echo "Bootstrapping $method ($i)"
python -W ignore bootstrap_${method}.py $i &
python -W ignore bootstrap_${method}.py $i &> output_${method}_${i}.dat &
done
for i in rhf uhf; do
echo "Bootstrapping DF-$method ($i)"
python -W ignore bootstrap_DF${method}.py $i &
python -W ignore bootstrap_DF${method}.py $i &> output_DF${method}_${i}.dat &
done
done

for method in CCSDwtwp; do
for i in rhf ghf; do
echo "Bootstrapping $method ($i)"
python -W ignore bootstrap_${method}.py $i &
python -W ignore bootstrap_${method}.py $i &> output_${method}_${i}.dat &
done
done

for method in CC3 CCSDT; do
for i in rhf uhf ghf; do
echo "Bootstrapping $method ($i)"
python -W ignore bootstrap_${method}.py $i &
python -W ignore bootstrap_${method}.py $i &> output_${method}_${i}.dat &
done
done

wait

for file in output_*.dat; do
echo "Output file: $file"
cat $file
done

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