Skip to content

Commit

Permalink
Improve bootstrapping script
Browse files Browse the repository at this point in the history
  • Loading branch information
obackhouse committed Jul 18, 2024
1 parent 63ae955 commit b2adb58
Showing 1 changed file with 13 additions and 12 deletions.
25 changes: 13 additions & 12 deletions .github/workflows/bootstrap_all.sh
Original file line number Diff line number Diff line change
@@ -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

0 comments on commit b2adb58

Please sign in to comment.