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Fixing tests
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@ -5,7 +5,7 @@ source $QP_ROOT/quantum_package.rc
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function run() {
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thresh=1.e-8
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thresh=1.e-7
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test_exe scf || skip
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qp set_file $1
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qp edit --check
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@ -18,7 +18,7 @@ function run() {
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@test "B-B" { # 3s
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run b2_stretched.ezfio -48.9950585752809
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run b2_stretched.ezfio -48.9950585434279
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}
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@test "SiH2_3B1" { # 0.539000 1.51094s
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