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WIP: Extend AMSResults.get_energy_landscape() with an XYZ and INP sources - #438
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nfaguirrec wants to merge 6 commits into
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nfaguirrec wants to merge 6 commits into
nfaguirrec wants to merge 6 commits into
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…fallback. Tests added SO215
…re moved to the private class _EnergyLandscapeLayout. SO215
2. Add reaction network plotting for energy landscapes 3. Add formula and energy coloring with adaptive node sizing and directed arrows. 4. Add small, medium, and large plotting examples with image regression tests. SO215
2. Read preFactReact and preFactProd into the existing State attributes. 3. Use the HCNO INP fixture with energies for the medium plotting example. 3. Update fixtures, tests, and documentation SO215
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This is cool stuff, but my impression is this would be more at home in the upcoming |
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Now, we can plot the energy landscapes as reaction networks (bipartite graph)