Enable seminumerical exact exchange calculation with CUDA#183
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vmitq wants to merge 1 commit intowavefunction91:masterfrom
Open
Enable seminumerical exact exchange calculation with CUDA#183vmitq wants to merge 1 commit intowavefunction91:masterfrom
vmitq wants to merge 1 commit intowavefunction91:masterfrom
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Co-authored-by: Lukas Gergs <lg@terraquantum.swiss>
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This PR implements a new feature: the calculation of the seminumerical exact exchange contribution to the gradient. Currently, the EXX gradient is supported only for CUDA+cuBLAS.