nwchemgit / nwchem

NWChem: Open Source High-Performance Computational Chemistry
http://nwchemgit.github.io
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simplify code for e+=T2*V2 #906

Closed jeffhammond closed 11 months ago

jeffhammond commented 11 months ago

this code was using DGEMM to do a dot product, after transposing a 4D tensor, when the DGEMM was just transposing it back. also, an MA stack allocation was used for a scalar. automatic code generation is amazing, isn't it? :-)

this change does the dot product directly, with loops, without any transposes and with no unnecessary MA allocation.