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[package]
edition = "2021"
name = "gosh-fire"
version = "0.1.0"
authors = ["Wenping Guo <ybyygu@gmail.com>"]
description = "FIRE algorithm for geometry optimization"
license = "MIT OR Apache-2.0"
resolver = "2"

[dependencies.gut]
version = "0.3"
package = "gchemol-gut"

[dependencies.linesearch]
version = "0.1"
package = "gosh-linesearch"

[dependencies.vecfx]
version = "0.1"
features = ["nalgebra"]

[dev-dependencies.pyo3]
version = "0.10.1"

[features]
adhoc = []