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Aug 19, 2015  Cytoclonal Pharmaceutics Inc.The Gaussian computational chemistry program allows the results of a calculation to be saved in a machine readable file, called a checkpoint file. The primary use of a checkpoint file is to use the results of one calculation as the starting point for a second calculation. Gaussian Tip: Finding out What’s in a Checkpoint File Ever wonder what’s in some of the numerous checkpoint files you have accumulated or which checkpoint file of several is the one you want? The chkchk utility will show you information about the job that created a checkpoint file. Checkpoint file. Using Gaussian Checkpoint Files ChkBasis. Read the basis set from the checkpoint file. Restart an SCF calculation from the checkpoint file. Restarts an IRC calculation that did not complete. Restarts a potential energy surface scan which did not.

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