potentials 0.1.0

A lightweight Rust library for classical molecular dynamics potentials, providing modular force field components (LJ, bonds, angles, torsions) for major systems like DREIDING, AMBER, and GROMOS, with high-performance, branchless kernels in no-std scientific computing.
Documentation 
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[dependencies.libm]
optional = true
version = "0.2.15"

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

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

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

[package]
authors = ["Tony Kan <tianchengkan@gmail.com>"]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = false
categories = ["science", "simulation"]
description = "A lightweight Rust library for classical molecular dynamics potentials, providing modular force field components (LJ, bonds, angles, torsions) for major systems like DREIDING, AMBER, and GROMOS, with high-performance, branchless kernels in no-std scientific computing."
edition = "2024"
keywords = ["chemistry", "physics", "molecular-dynamics", "force-fields", "no-std"]
license = "MIT"
name = "potentials"
readme = "README.md"
repository = "https://github.com/TKanX/potentials"
version = "0.1.0"

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