nwchemgit / nwchem

NWChem: Open Source High-Performance Computational Chemistry
http://nwchemgit.github.io
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TCE CCSD(T) CUDA logic update #968

Open jeffhammond opened 2 months ago

jeffhammond commented 2 months ago

The previous version made it impossible to execute ccsd_t_6dts if CUDA was enabled. This fixes the logic to allow everything to work together in the same binary.