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Fix frequency-dependent iterative CPHF

Open berquist opened this issue 6 years ago • 2 comments

A bug where the list holding response vectors (self.x) wasn't cleared was hiding the fact that solve_dynamic_iterative was not correct.

berquist avatar Jan 19 '20 23:01 berquist

Codecov Report

Merging #91 into master will decrease coverage by <.01%. The diff coverage is 100%.

codecov-io avatar Jan 19 '20 23:01 codecov-io

It is lost to the ages what the actual problem with the iterative solver was (something with separate response vectors rather than a single combined U?), but I had left this draft in the hopes of referencing another paper or two, but clearly that didn't happen. The code has been done the entire time.

berquist avatar Nov 11 '22 04:11 berquist