To view frequencies in gaussview3: Difference between revisions
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A useful trick | A useful trick about gaussian 09. | ||
It is impossible for gaussview3 to read the frequencies of a gaussian09 output file. | It is impossible for gaussview3 to read the frequencies of a gaussian09 output file. | ||
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In gaussian 03, there was only one blank character between "Atom" and "AN". | In gaussian 03, there was only one blank character between "Atom" and "AN". | ||
Gaussian 09 writes 2! So if you just delete one blank character between these two "words", gauss view3 will be able to read the frequencies! | Gaussian 09 writes 2! So if you just delete one blank character between these two "words", gauss view3 will be able to read the frequencies! | ||
== vi trick == | |||
If you have a very big file, a useful vi trick that will perform all the substitutions automatically is the following: | |||
:%s/Atom AN/Atom AN/g | |||
"Atom AN" is the pattern you are searching for, and "Atom AN" is the string you are replacing it with. | |||
Latest revision as of 16:02, 4 July 2010
go back to Main Page, Computational Resources, GAUSSIAN, G09
A useful trick about gaussian 09.
It is impossible for gaussview3 to read the frequencies of a gaussian09 output file. But if you look at the part where gaussian writes the frequency values, there is this line
Atom AN X Y Z X Y Z X Y Z
In gaussian 03, there was only one blank character between "Atom" and "AN". Gaussian 09 writes 2! So if you just delete one blank character between these two "words", gauss view3 will be able to read the frequencies!
vi trick[edit]
If you have a very big file, a useful vi trick that will perform all the substitutions automatically is the following:
- %s/Atom AN/Atom AN/g
"Atom AN" is the pattern you are searching for, and "Atom AN" is the string you are replacing it with.