From 22350331e3959de17dd1f335ce42a6c02ecdc3ed Mon Sep 17 00:00:00 2001
From: Oliver Backhouse <olbackhouse@gmail.com>
Date: Mon, 21 Oct 2024 22:59:28 +0100
Subject: [PATCH] Try CCSDT only

---
 .github/workflows/bootstrap_all.sh | 110 +++++++++++++++--------------
 1 file changed, 56 insertions(+), 54 deletions(-)

diff --git a/.github/workflows/bootstrap_all.sh b/.github/workflows/bootstrap_all.sh
index 61f7a69f..d10d06d1 100644
--- a/.github/workflows/bootstrap_all.sh
+++ b/.github/workflows/bootstrap_all.sh
@@ -1,33 +1,34 @@
 #!/bin/bash
 
-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 $n &> output_${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 $i &> output_${method}_${i}.dat &
-    done
-    for i in rhf uhf; do
-        echo "Bootstrapping DF-$method ($i)"
-        python -W ignore bootstrap_DF${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 $i &> output_${method}_${i}.dat &
-    done
-done
+#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 $n &> output_${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 $i &> output_${method}_${i}.dat &
+#    done
+#    for i in rhf uhf; do
+#        echo "Bootstrapping DF-$method ($i)"
+#        python -W ignore bootstrap_DF${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 $i &> output_${method}_${i}.dat &
+#    done
+#done
 
-for method in CC3 CCSDT; do
+#for method in CC3 CCSDT; do
+for method in CCSDT; do
     for i in rhf uhf ghf; do
         echo "Bootstrapping $method ($i)"
         python -W ignore bootstrap_${method}.py $i &> output_${method}_${i}.dat &
@@ -36,34 +37,35 @@ done
 
 wait
 
-for method in MPn; do
-    for n in 2 3; do
-        for i in rhf uhf ghf; do
-            echo "Output for $method ($i) (order=$n)"
-            cat output_${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 "Output for $method ($i)"
-        cat output_${method}_${i}.dat
-    done
-    for i in rhf uhf; do
-        echo "Output for DF-$method ($i)"
-        cat output_DF${method}_${i}.dat
-    done
-done
-
-for method in CCSDwtwp; do
-    for i in rhf ghf; do
-        echo "Output for $method ($i)"
-        cat output_${method}_${i}.dat
-    done
-done
+#for method in MPn; do
+#    for n in 2 3; do
+#        for i in rhf uhf ghf; do
+#            echo "Output for $method ($i) (order=$n)"
+#            cat output_${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 "Output for $method ($i)"
+#        cat output_${method}_${i}.dat
+#    done
+#    for i in rhf uhf; do
+#        echo "Output for DF-$method ($i)"
+#        cat output_DF${method}_${i}.dat
+#    done
+#done
+#
+#for method in CCSDwtwp; do
+#    for i in rhf ghf; do
+#        echo "Output for $method ($i)"
+#        cat output_${method}_${i}.dat
+#    done
+#done
 
-for method in CC3 CCSDT; do
+#for method in CC3 CCSDT; do
+for method in CCSDT; do
     for i in rhf uhf ghf; do
         echo "Output for $method ($i)"
         cat output_${method}_${i}.dat