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Add force field support for dielectric constants in charge terms. #2022

Merged
merged 2 commits into from
Sep 14, 2019
Merged

Add force field support for dielectric constants in charge terms. #2022

merged 2 commits into from
Sep 14, 2019

Commits on Aug 31, 2019

  1. Add force field support for dielectric constants in charge terms. 

    Needs unit tests, but supported for MMFF94, GAFF, and Ghemical
force fields. Enables minimization and energy evaluation with
decreased electrostatic components (e.g., set epsilon to 500)
or dielectric of different solvents.
    @ghutchis
    ghutchis committed Aug 31, 2019
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Commits on Sep 2, 2019

  1. Add MMFF94s tests and MMFF94 + dielectric constant unit tests.

    @ghutchis
    ghutchis committed Sep 2, 2019
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