Generalize collocation matrix #172
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jwaldrop107
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Sep 24, 2025
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🚀 [bumpr] Bumped! |
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Description
My understanding is that a "collocation matrix" is a matrix where one mode is spanned by grid points and the other mode is spanned by one or more functions evaluated at those grid points. The original PT assumed the functions were AOs. This PR generalizes it to arbitrary quantities so that it can be used to form the collocation matrix for the AO density (among other things).
TODOs