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Merge pull request #44 from ZimmermanGroup:joshkamm/issue43#44

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joshkamm wants to merge 1 commit intomainfrom
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Merge pull request #44 from ZimmermanGroup:joshkamm/issue43#44
joshkamm wants to merge 1 commit intomainfrom
joshkamm/issue43

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@joshkamm joshkamm commented Apr 6, 2023

add an example that allows for running an analogous reaction across a variety of reactant ligands with the same porphyrin ancillary ligand

  • Add a python script that does the porphyrin example
  • Update documentation
  • Update tests
  • Look through pull request changes
  • Clean up code and retest
  • Increment version number

closes #43

@joshkamm joshkamm self-assigned this Apr 6, 2023
@joshkamm joshkamm changed the title Merge pull request #38 from ZimmermanGroup:joshkamm/issue36 Merge pull request #44 from ZimmermanGroup:joshkamm/issue43 Apr 6, 2023
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add porphyrin example

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