this is for holding javascript data
Somayeh edited Geac_Gaussian_ESI_Automated_Creator__.tex
over 8 years ago
Commit id: 04875741345ee55779eae1fc4c7d7fc3cd55dc09
deletions | additions
diff --git a/Geac_Gaussian_ESI_Automated_Creator__.tex b/Geac_Gaussian_ESI_Automated_Creator__.tex
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--- a/Geac_Gaussian_ESI_Automated_Creator__.tex
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Geac
(Gaussian (gaussian ESI
Automated Creator) automated creator) applies on gaussian log files to extract useful data. According to different filters user can choose one or several output files, and create several raw text files having desired data such as xyz coordinates, lowest frequencies, or thermodynamic data.