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mattbernst / polyhartree

Tools to automate routine computational chemistry
GNU General Public License v3.0
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Test basis set count limit in NWChem #2

Open mattbernst opened 9 years ago

mattbernst commented 9 years ago

Reading the code, it appears that NWChem in its default compile may support a maximum of 7 basis sets assigned in one system. Add test case to check this. Also see if we can discover basis sets limits for the other adapters.