# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO # # When uploading crates to the registry Cargo will automatically # "normalize" Cargo.toml files for maximal compatibility # with all versions of Cargo and also rewrite `path` dependencies # to registry (e.g., crates.io) dependencies. # # If you are reading this file be aware that the original Cargo.toml # will likely look very different (and much more reasonable). # See Cargo.toml.orig for the original contents. [package] edition = "2021" name = "gosh-dimer" version = "0.2.0" authors = ["Wenping Guo "] description = "DIMER algorithm for finding transition states in chemical reactions" license = "MIT OR Apache-2.0" [dependencies.envy] version = "0.4" [dependencies.gut] version = "0.3.0" package = "gchemol-gut" [dependencies.serde] version = "1" features = ["derive"] [dependencies.serde_json] version = "1" [dependencies.vecfx] version = "0.1" features = ["nalgebra"] [dev-dependencies] [features] adhoc = []