cherry-pick #6392 to support GPU version of cal_force_cc under LCAO basis set#6553
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zgn-26714 wants to merge 10 commits into
Closed
cherry-pick #6392 to support GPU version of cal_force_cc under LCAO basis set#6553zgn-26714 wants to merge 10 commits into
zgn-26714 wants to merge 10 commits into
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* support GPU version of cal_force_cc with LCAO basis * fix a bug
mohanchen
added
Refactor
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You should use another branch for this PR to avoid introducing irrelevant commit information. |
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Add CUDA branch in source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp