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gongshuai1 / GPU_OMD

A GPU based optimized McMurchie-Davidson recurrence relation method for electron repulsion integral evaluation

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GPU_OMD

A GPU based optimized McMurchie-Davidson recurrence relation method for electron repulsion integral evaluation.

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This is my old github account, please follow this program on my new account

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A GPU based optimized McMurchie-Davidson recurrence relation method for electron repulsion integral evaluation

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Language:Cuda 99.4%Language:C++ 0.4%Language:C 0.3%