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https://github.com/LCPQ/quantum_package
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modified qp_e_conv_fci for pdf
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@ -13,8 +13,8 @@ for i in `seq 1 $nstates`
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do
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out=${1}.${i}.conv
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cat << EOF > ${out}.plt
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set term eps
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set output "$out.eps"
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set term pdf
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set output "$out.pdf"
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set log x
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set xlabel "Number of determinants"
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set ylabel "Total Energy (a.u.)"
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@ -32,8 +32,8 @@ for i in `seq 2 $nstates`
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do
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out=${1}.${i}.delta_e.conv
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cat << EOF > ${out}.plt
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set term eps
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set output "$out.eps"
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set term pdf
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set output "$out.pdf"
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set log x
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set xlabel "Number of determinants"
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set ylabel "Energy difference (a.u.)"
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