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NAMD engine implementation #74

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ghost opened this issue Dec 27, 2022 · 0 comments
Open

NAMD engine implementation #74

ghost opened this issue Dec 27, 2022 · 0 comments
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enhancement New feature or request

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@ghost
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ghost commented Dec 27, 2022

Desired features:

  • Implement an engine for NAMD
  • Refactoring and re-deploy of MDTrajectory class for NAMD and DFTB+
  • Proper definition and placement of the velocity property and related quantities
@ghost ghost added the enhancement New feature or request label Dec 27, 2022
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