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The casting at the beginning of ccwfn #50

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zw0930 opened this issue Sep 21, 2022 · 0 comments
Open

The casting at the beginning of ccwfn #50

zw0930 opened this issue Sep 21, 2022 · 0 comments

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@zw0930
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zw0930 commented Sep 21, 2022

For the GPU implementation, the tensors are casting to torch.tensor and complex type at the same time at the beginning of ccwfn currently. Modifications should be made to cast to complex only when needed (i.e. carrying out RT-CC calculations) to avoid redundantly using twice as much memory.

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