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Update README for PC-SAFT parameters and add new binary record files #200

Merged
merged 8 commits into from
Nov 23, 2023
Merged

Update README for PC-SAFT parameters and add new binary record files #200

merged 8 commits into from
Nov 23, 2023

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prehner
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@prehner prehner commented Nov 21, 2023 •
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Todos

  • Update README
  • Add parameter files for GC methods
  • Add files with individual binary interaction parameters
  • Add SMARTS records that are compatible with Sauer groups

@prehner prehner marked this pull request as ready for review November 22, 2023 15:53
@prehner prehner requested a review from g-bauer November 22, 2023 15:53
@g-bauer
Small formatting changes to README, updated parameter tutorial notebo…
bdb93d3 
…ok (k_ij getter returns None of not specified)
@prehner prehner merged commit b946c0e into main Nov 23, 2023
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@prehner prehner deleted the binary_interaction_parameter_files branch November 23, 2023 14:48
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@g-bauer g-bauer g-bauer approved these changes

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@prehner @g-bauer