[package] name = "rgaussian16" version = "0.1.3" edition = "2018" repository = "https://github.com/JurassicBunny/rgaussian16" license = "MIT" license-file = "LICENSE" readme = "README.md" description = "Interface for the Gaussian16 quantum chemical package. This structure provides functions for auto generating input, and running the external program g16." # See more keys and their definitions at https://doc.rust-lang.org/cargo/reference/manifest.html [dev-dependencies] serde_test = { version = "1.0.117" } [dependencies] serde = { version = "1.0.130", features = ["derive"] } serde_yaml = { version = "0.8.21" } regex = { version = "1.5.4" }