NWChem6.8.1 MA Error

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Forum Vet

10:17:16 AM PDT - Fri, Jun 21st 2019
This yet another instance of the bug reported in https://github.com/nwchemgit/nwchem/issues/101 and https://github.com/nwchemgit/nwchem/issues/117 You can either download the current source of the master branch or add the 2eorb option in the tce input field tce freeze core 2eorb end