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[package]
edition = "2018"
name = "velvet"
version = "0.4.2"
authors = ["Seaton Ullberg <seatonullberg@gmail.com>"]
description = "Classical atomistic simulation engine with a focus on user-friendliness and extensibility"
keywords = ["chemistry", "materials-science", "molecular-dynamics", "physics"]
categories = ["science", "simulation"]
license = "MIT"
repository = "https://github.com/seatonullberg/velvet"
[package.metadata.docs.rs]
features = ["hdf5-sys/static", "hdf5-sys/zlib"]

[[bench]]
name = "integrator-benchmarks"
path = "benches/integrators.rs"
harness = false

[[bench]]
name = "pair-potential-benchmarks"
path = "benches/potentials/pair.rs"
harness = false

[[bench]]
name = "property-benchmarks"
path = "benches/properties.rs"
harness = false

[[bench]]
name = "thermostat-benchmarks"
path = "benches/thermostats.rs"
harness = false

[[bench]]
name = "velocity-distribution-benchmarks"
path = "benches/velocity_distributions.rs"
harness = false
[dependencies.hdf5]
version = "0.7"
optional = true

[dependencies.hdf5-sys]
version = "0.7"
optional = true

[dependencies.velvet-core]
version = "0.4.2"

[dependencies.velvet-external-data]
version = "0.1.0"
[dev-dependencies.approx]
version = "0.4"

[dev-dependencies.criterion]
version = "0.3"

[dev-dependencies.nalgebra]
version = "0.23"

[features]
default = []
hdf5-output = ["velvet-core/hdf5-output", "hdf5", "hdf5-sys"]
rayon = ["velvet-core/rayon"]