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simplify code for e+=T2*V2 #906

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merged 1 commit into from
Nov 6, 2023

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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.

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.

Signed-off-by: Jeff Hammond <[email protected]>
@jeffhammond jeffhammond force-pushed the tce_ccsd_e_simplification branch from 480a0ed to 1bcd986 Compare November 6, 2023 13:08
@edoapra edoapra merged commit 69eb735 into nwchemgit:master Nov 6, 2023
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