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Update hyper-grep.sh
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ahmadubuntu authored Nov 9, 2016
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2 changes: 1 addition & 1 deletion hyper-grep.sh
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#clear
# This script used for greping static Hyperpolarizablity for w=0.0 from gaussian output and converting it to electreostatic unit.
# usage: ./gp.sh gaussian-output.out [unit]
# for using this script you must use "polar" or "freq" keyword in gaussian input file and "p" (for additional print) after # symbole,e.g:
# for using this script you must use "polar" keyword in gaussian input file (for mp2 or higher level of calculation you should use Polar=cubic or Polar=EnOnly or Polar=DubleNumber) and "p" (for additional print) after # symbole,e.g:
# #p b3lyp/6-311++g(d,p) polar


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