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Add a solve_fermion function for compatibility with SQD #27

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merged 14 commits into from
Sep 25, 2024

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@caleb-johnson caleb-johnson commented Sep 25, 2024

Fixes #24

This PR adds a function, solve_fermion, to mimic solve_fermion in SQD.

Key deviations from original function:

  • Make a working directory in the system's temp directory if one isn't specified
  • Create an fci dump from the integrals.
    • SInce we do this, we can ensure there is no nuclear repulsion energy in the fci dump, so we don't have to account for it (same as SQD)
  • Takes a bitstring matrix, rather than addresses. Does not accept addresses as a deprecated arg.

TODO:

  • Release note

@caleb-johnson caleb-johnson merged commit 2154f0c into main Sep 25, 2024
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@caleb-johnson caleb-johnson deleted the solve-fermion branch September 25, 2024 21:21
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Write a solve_fermion function
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