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mfgu avatar mfgu commented on September 14, 2024

not sure what you mean. you normally don't need to set these. the default handling is ok for most cases.

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zhaojingyan3 avatar zhaojingyan3 commented on September 14, 2024

For example,I need radial wavefunction about two bound states and integrate them accordingly. I need them to have the same radius value.
I don't know if you understand what I mean.

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mfgu avatar mfgu commented on September 14, 2024

all wavefunctions share the common radial grid in a single calculation.

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zhaojingyan3 avatar zhaojingyan3 commented on September 14, 2024

I see.But for different bound states,the range of radial values is different.So when integrating them,I have to abandon the extra values.
So I want to make their radial value ranges consistent.

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mfgu avatar mfgu commented on September 14, 2024

take the smaller grid of the two. wavefunctions are assumed to be 0 beyond the last radial point.

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