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File verification for cloud repo

Open jarrodmcc opened this issue 8 years ago • 0 comments

As we expand the molecule library that is available in the cloud, we should develop an automated test for pulling those files down and running some basic sanity checks. For example it might be useful to attempt loading each of the required fields to verify none of the data was corrupted, and also load the 1- and 2-electron integrals as well as the orbitals, and verify that the Hartree-Fock energy is consistent with the rest of the file.

jarrodmcc avatar Jan 12 '18 02:01 jarrodmcc