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Add new pairwise potentials
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jla-gardner committed Jan 16, 2024
1 parent 4b9eb74 commit 23512ac
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Showing 6 changed files with 2,604 additions and 2,659 deletions.
2 changes: 2 additions & 0 deletions docs/source/models/distances.rst
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Expand Up @@ -9,7 +9,9 @@ base class, which can be used to implement new distance expansions.
We also provide a few common expansions:

.. autoclass :: graph_pes.models.distances.Bessel
:show-inheritance:
.. autoclass :: graph_pes.models.distances.GaussianSmearing
:show-inheritance:
Implementing a new Expansion
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8 changes: 7 additions & 1 deletion docs/source/models/pairwise.rst
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Expand Up @@ -3,5 +3,11 @@ Pair Potentials

.. autoclass :: graph_pes.models.pairwise.PairPotential
:members: interaction
:show-inheritance:
.. autoclass :: graph_pes.models.pairwise.LennardJones
.. autoclass :: graph_pes.models.pairwise.LennardJones
:show-inheritance:
.. autoclass :: graph_pes.models.pairwise.Morse
:show-inheritance:
.. autoclass :: graph_pes.models.pairwise.LearnablePairPotential
:show-inheritance:
30 changes: 15 additions & 15 deletions docs/source/notebooks/Cu-LJ-dimer.svg
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