loos/srDFT_G2
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added G2-srDFT.bib

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eginer 2019-03-28 15:14:31 +01:00
parent a68c74e228
commit 694a342953
2 changed files with 14835 additions and 0 deletions
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11
Big_data/Small_core/script.sh Executable file
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atom=$1
mol=${atom}2
file=$2
Eatom=`grep -w "${atom}" $file | cut -d "-" -f 2`
Emol=` grep -w "${mol}" $file | cut -d "-" -f 2`
Eatom=-${Eatom}
Emol=-${Emol}
de=`echo "($Eatom * 2 - $Emol) * 627.509608" | bc `
echo $de

14824
Manuscript/G2-srDFT.bib Normal file
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