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[package]
edition = "2021"
name = "EZAIMD"
version = "0.1.0"
description = "Command line tool that allows the user to easly run ab initio molecular dynamics (AIMD) interfacing with the Gaussian16 quantum chemical package."
readme = "README.md"
license = "MIT"
repository = "https://github.com/JurassicBunny/EZAIMD"
resolver = "2"

[dependencies.anyhow]
version = "1.0.57"

[dependencies.clap]
version = "3.1.18"
features = ["derive"]

[dependencies.num-traits]
version = "0.2.15"

[dependencies.rand]
version = "0.8.5"

[dependencies.rand_distr]
version = "0.4.3"

[dependencies.regex]
version = "1.5.6"

[dependencies.rgaussian16]
version = "0.1.3"

[dependencies.serde]
version = "1.0.137"
features = ["derive"]

[dependencies.serde_json]
version = "1.0.81"

[dependencies.thiserror]
version = "1.0.31"