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Original file line number | Diff line number | Diff line change |
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@@ -1,16 +1,17 @@ | ||
#!/bin/bash | ||
for i in rhf uhf ghf; do | ||
for n in 2 3; do | ||
python -W ignore bootstrap_MPn.py $i $n | ||
for method in MPn CCD CCSD QCISD CC2 DCD DCSD; do | ||
for i in rhf uhf ghf; do | ||
for n in 2 3; do | ||
echo "Bootstrapping $method ($i) (order=$n)" | ||
python -W ignore bootstrap_${method}.py $i $n | ||
done | ||
echo "Bootstrapping $method ($i)" | ||
python -W ignore bootstrap_${method}.py $i | ||
done | ||
python -W ignore bootstrap_CCD.py $i | ||
python -W ignore bootstrap_CCSD.py $i | ||
python -W ignore bootstrap_QCISD.py $i | ||
python -W ignore bootstrap_CC2.py $i | ||
python -W ignore bootstrap_DCD.py $i | ||
python -W ignore bootstrap_DCSD.py $i | ||
done | ||
for i in rhf uhf; do | ||
python -W ignore bootstrap_DFCCD.py $i | ||
python -W ignore bootstrap_DFCCSD.py $i | ||
for method in DFCCD DFCCSD; do | ||
for i in rhf uhf; do | ||
echo "Bootstrapping $method ($i)" | ||
python -W ignore bootstrap_${method}.py $i | ||
done | ||
done |