[package]
edition = "2021"
rust-version = "1.77"
name = "coulomb"
version = "0.4.0"
authors = ["Mikael Lund"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Library for electrolytes and electrostatic interactions"
documentation = "https://docs.rs/coulomb"
readme = "README.md"
keywords = [
"electrolytes",
"electrostatics",
"simulation",
"multipoles",
"chemistry",
]
categories = ["science"]
license = "Apache-2.0"
repository = "https://github.com/mlund/coulomb"
[package.metadata.docs.rs]
rustdoc-args = [
"--html-in-header",
"./src/docs-header.html",
]
cargo-args = [
"-Zunstable-options",
"-Zrustdoc-scrape-examples",
]
[features]
default = ["uom"]
serde = [
"dep:serde",
"mint/serde",
]
simd = ["dep:wide"]
uom = [
"dep:uom",
"dep:num-traits",
]
[lib]
name = "coulomb"
path = "src/lib.rs"
[[example]]
name = "potential"
path = "examples/potential.rs"
[[example]]
name = "si-units"
path = "examples/si-units.rs"
[[bench]]
name = "reciprocal"
path = "benches/reciprocal.rs"
harness = false
[dependencies.mint]
version = "0.5"
[dependencies.nalgebra]
version = "0.34.1"
features = [
"std",
"mint",
]
default-features = false
[dependencies.num-integer]
version = "0.1"
[dependencies.num-traits]
version = "0.2"
optional = true
[dependencies.serde]
version = "1.0"
features = [
"derive",
"std",
]
optional = true
default-features = false
[dependencies.thiserror]
version = "2"
[dependencies.uom]
version = "0.36"
features = [
"si",
"f64",
]
optional = true
default-features = false
[dependencies.wide]
version = "1.1"
optional = true
[dev-dependencies.approx]
version = "0.5"
[dev-dependencies.colorgrad]
version = "0.6"
[dev-dependencies.criterion]
version = "0.5"
features = ["html_reports"]
[dev-dependencies.image]
version = "0.25"