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OPSPiggybacker 0.1.0

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@dwhswenson dwhswenson released this 28 Dec 20:28
· 38 commits to master since this release

Initial release of OPSPiggybacker. This can read in data about one-way TPS simulations from other packages, and convert that into data that can be analyzed using the tools in OpenPathSampling.

Includes:

  • basic library to make OPS TPS results from data extracted from other packages
  • toolkit to facilitate extraction of that data from several likely approaches other packages might have used