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Update hf.bats
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@ -14,7 +14,7 @@ function run_HF() {
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test_exe SCF || skip
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test_exe SCF || skip
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qp_edit -c $1
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qp_edit -c $1
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ezfio set_file $1
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ezfio set_file $1
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ezfio set hartree_fock thresh_scf 1.e-11
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ezfio set hartree_fock thresh_scf 1.e-8
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qp_run SCF $1
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qp_run SCF $1
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energy="$(ezfio get hartree_fock energy)"
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energy="$(ezfio get hartree_fock energy)"
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eq $energy $2 $thresh
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eq $energy $2 $thresh
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