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added grid functionality to look at accessibility of energy grids

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@SimonEnsemble SimonEnsemble released this 24 Sep 22:56
· 659 commits to master since this release
18527f8
  • now perform flood-fill of potential energy grid, look at connections between segments, and block out inaccessible pockets
  • during henry coefficient calcs (widom insertions), declare energy as Inf where we hit an inaccessible pocket to effectively block these during the simulation