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add units of energy and time to the descriptions of the datasets #32

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merged 1 commit into from
Jul 17, 2019

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orbeckst
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We need to make clear what units the raw data files are in. These are important details so that we can make sure that alchemlyb does correct unit conversion.

Added units for the datasets

  • Gromacs
  • Amber
  • NAMD

This came up in conjunction with issues alchemistry/alchemlyb#56, alchemistry/alchemlyb#57, and alchemistry/alchemlyb#75.

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LGTM for the amber additions. Thanks @orbeckst

@orbeckst orbeckst merged commit 6630cad into master Jul 17, 2019
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