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0.0.2

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@jthorton jthorton released this 05 Oct 13:49
· 45 commits to main since this release
0.0.2
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Learn about vigilant mode.

Minor bug fixes

  • PR #16 introduces a default values function for the custom nonbonded force allowing users to define sensible defaults. This allows virtual sites to be used with the DoubleExponential potential.
  • PR #17 properly implements scaled 1-4 interactions for custom nonbonded forces. A scaled version of the custom potential is automatically generated and applied to the system as a custom bond force between all 1-4 atom pairs.
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