# [[file:fire.note::9adec1a5][9adec1a5]]
[package]
name = "gosh-fire"
version = "0.1.0"
edition = "2021"
authors = ["Wenping Guo <ybyygu@gmail.com>"]
description = "FIRE algorithm for geometry optimization"
license = "MIT OR Apache-2.0"

[dependencies]
gut = {version="0.3", package="gchemol-gut"}
vecfx = {version="0.1", features=["nalgebra"]}
linesearch = { version = "0.1", package="gosh-linesearch"}

[dev-dependencies]
pyo3 = "0.10.1"

[workspace]

[features]
# for adhoc hacking
adhoc = []
# 9adec1a5 ends here