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Different Propagators #3

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kombatEldridge opened this issue Dec 17, 2024 · 0 comments
Open

Different Propagators #3

kombatEldridge opened this issue Dec 17, 2024 · 0 comments

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@kombatEldridge
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As the software progresses, it will be important that the user has the ability to run a quick calculation to confirm the job's parameters as well as the ability to run a more accurate but slower calculation to get meaningful results.

Currently, the project supports only the RK4 method for testing purposes, but it would be best to use a more robust propagator such as Magnus or Parallel Transport Gauge.

A similar approach can be found with NWChem's documentation.
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@kombatEldridge