Code

Davidson iterations for tddft on GPU#305

Code

Merged

sunqm merged 10 commits intopyscf:masterpyscf/gpu4pyscf:masterfrom bytedance:feat/gpudavidsonbytedance/gpu4pyscf:feat/gpudavidsonCopy head branch name to clipboardJan 20, 2025

+178-127

Commits

Commits on Jan 13, 2025

• some mmodifications

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• test

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• finish writting, start debugging

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Commits on Jan 15, 2025

• Finish debugging and unit tests.

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Commits on Jan 16, 2025

• remove some comments and unused codes

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• after review the codes

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Commits on Jan 17, 2025

• Merge branch 'master' into feat/gpudavidson

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• change the threshold in precond

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• add the import _response_functions

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Commits on Jan 20, 2025

• change codes according to review comments

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