dreid-kernel 0.1.0

A high-performance, no-std Rust library providing pure mathematical primitives and stateless energy kernels for the DREIDING force field.
Documentation 
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[[bench]]
harness = false
name = "benchmark"
path = "benches/benchmark.rs"

[dependencies.libm]
optional = true
version = "0.2.15"

[dev-dependencies.approx]
version = "0.5.1"

[dev-dependencies.criterion]
version = "0.8.1"

[features]
default = ["std"]
libm = ["dep:libm"]
std = []

[lib]
name = "dreid_kernel"
path = "src/lib.rs"

[package]
authors = ["Tony Kan <tonykan@caltech.edu>", "William A. Goddard III <wag@caltech.edu>"]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = false
categories = ["science", "simulation"]
description = "A high-performance, no-std Rust library providing pure mathematical primitives and stateless energy kernels for the DREIDING force field."
edition = "2024"
keywords = ["chemistry", "physics", "molecular-dynamics", "force-field", "dreiding"]
license = "MIT"
name = "dreid-kernel"
readme = "README.md"
repository = "https://github.com/caltechmsc/dreid-kernel"
version = "0.1.0"

[package.metadata.docs.rs]
rustdoc-args = ["--html-in-header", "katex-header.html"]

[profile.release]
codegen-units = 1
lto = true
opt-level = 3
panic = "abort"
strip = true

[[test]]
name = "consistency"
path = "tests/consistency.rs"