Skip to content

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

Merged
prehner merged 8 commits into
mainfrom
binary_interaction_parameter_files
Nov 23, 2023
Merged

Update README for PC-SAFT parameters and add new binary record files#200
prehner merged 8 commits into
mainfrom
binary_interaction_parameter_files

Conversation

@prehner

@prehner prehner commented Nov 21, 2023

Copy link
Copy Markdown
Contributor

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
…ok (k_ij getter returns None of not specified)
@prehner
prehner merged commit b946c0e into main Nov 23, 2023
@prehner
prehner deleted the binary_interaction_parameter_files branch November 23, 2023 14:48
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants