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How to archive checkpoint files created by Gaussian ?

[id : 35] [14/04/2006] [hits : 73123]


The "chkmove" utility allows to use ".chk" checkpoint files on others machines and beween different versions of Gaussian. However this utility does not work properly on ASTER.

There are however two other utilities that do the job:

"formchk" converts a binary checkpoint file into an ASCII form suitable for use with other programs.

"unfchk" converts a formatted checkpoint file back to its binary form.

Converting those checkpoint-files into ASCII reduces also there size

Johan D'Hondt

http://webnotes.vub.ac.be/&noteid=35

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