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For Vaibhav use cases, we need these to be reasonably parallel and we need a good grid.
It's probably not that difficult to code but it will be tedious
Alex and Vaibhav talk about the theory of the theory of the integrals
After some thinking, come back and talk to Paul about their thoughts
The 4 center integrals are a major bottleneck because they need a larger grid size and there are the most of them. If we can reduce the grid size requirement that would make a major performance impact on the code. If not, we will want to focus more on parallelization to improve the performance.
The text was updated successfully, but these errors were encountered:
For Vaibhav use cases, we need these to be reasonably parallel and we need a good grid.
It's probably not that difficult to code but it will be tedious
The 4 center integrals are a major bottleneck because they need a larger grid size and there are the most of them. If we can reduce the grid size requirement that would make a major performance impact on the code. If not, we will want to focus more on parallelization to improve the performance.
The text was updated successfully, but these errors were encountered: