18 lines
229 B
Bash
Executable File
18 lines
229 B
Bash
Executable File
#!/bin/bash
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norbitals=43
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nelectrons=8
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xcut=6.0
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if [ -f "input" ]; then
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rm "input"
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fi
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echo "$nelectrons $norbitals" > input
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../determinants/determinants.x < input
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rm "input"
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for i in {1..6}
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do
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./compute_NPE.pl $i $xcut
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done
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