Scripts for Gaussian: Difference between revisions

Revision as of 12:03, 24 March 2010

go back to Scripts

Basic script to extract basic information about a gaussian job, like basis/method, symmetry, SCF energies, Convergence, Frequency info, No. of Negative eigenvalues etc. si

Revision as of 12:01, 24 March 2010 edit Sdonald (talk \| contribs) 90 edits New page: go back to Scripts * Script to extract basic information about a gaussian job, like basis/method, symmetry, SCF energies, Convergence, Frequency info, No. of Negative eigenvalues etc....		Revision as of 12:03, 24 March 2010 edit undo Sdonald (talk \| contribs) 90 edits No edit summary Newer edit →
Line 1:		Line 1:
	go back to [[Scripts]]		go back to [[Scripts]]

	* ~~Script~~ to extract basic information about a gaussian job, like basis/method, symmetry, SCF energies, Convergence, Frequency info, No. of Negative eigenvalues etc. [[si]]		* Basic script to extract basic information about a gaussian job, like basis/method, symmetry, SCF energies, Convergence, Frequency info, No. of Negative eigenvalues etc. [[si]]