added G2-srDFT.bib
This commit is contained in:
parent
a68c74e228
commit
694a342953
11
Big_data/Small_core/script.sh
Executable file
11
Big_data/Small_core/script.sh
Executable file
@ -0,0 +1,11 @@
|
||||
|
||||
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
14824
Manuscript/G2-srDFT.bib
Normal file
File diff suppressed because it is too large
Load Diff
Loading…
Reference in New Issue
Block a user