[package]
edition = "2021"
rust-version = "1.82"
name = "integral"
version = "0.1.5"
authors = ["integral contributors"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Native-Rust Gaussian integrals for quantum mechanics (driver + public API)."
homepage = "https://github.com/nmrtist/integral"
readme = "README.md"
keywords = [
"quantum-chemistry",
"gaussian",
"integrals",
"molecular",
"eri",
]
categories = [
"science",
"mathematics",
]
license = "Apache-2.0"
repository = "https://github.com/nmrtist/integral"
[lib]
name = "integral"
path = "src/lib.rs"
[[test]]
name = "analytic_md_cross_check"
path = "tests/analytic_md_cross_check.rs"
[[test]]
name = "cross_engine"
path = "tests/cross_engine.rs"
[[test]]
name = "df"
path = "tests/df.rs"
[[test]]
name = "dispatch"
path = "tests/dispatch.rs"
[[test]]
name = "eri_builder"
path = "tests/eri_builder.rs"
[[test]]
name = "eri_maxima"
path = "tests/eri_maxima.rs"
[[test]]
name = "eri_md_cross_check"
path = "tests/eri_md_cross_check.rs"
[[test]]
name = "eri_md_extra"
path = "tests/eri_md_extra.rs"
[[test]]
name = "gradients"
path = "tests/gradients.rs"
[[test]]
name = "gradients_full_l"
path = "tests/gradients_full_l.rs"
[[test]]
name = "max_l_boundary"
path = "tests/max_l_boundary.rs"
[[test]]
name = "one_electron"
path = "tests/one_electron.rs"
[[test]]
name = "operator_dsl"
path = "tests/operator_dsl.rs"
[[test]]
name = "operator_extensibility"
path = "tests/operator_extensibility.rs"
[[test]]
name = "operator_new_types"
path = "tests/operator_new_types.rs"
[[test]]
name = "screening"
path = "tests/screening.rs"
[[test]]
name = "screening_independent"
path = "tests/screening_independent.rs"
[[test]]
name = "spherical"
path = "tests/spherical.rs"
[[test]]
name = "spherical_mixed_kind"
path = "tests/spherical_mixed_kind.rs"
[[test]]
name = "two_electron"
path = "tests/two_electron.rs"
[dependencies.integral-core]
version = "0.1.5"
[dependencies.integral-math]
version = "0.1.5"
[dev-dependencies]
[lints.clippy]
doc_markdown = "allow"
[lints.rust]
unreachable_pub = "warn"
unsafe_op_in_unsafe_fn = "warn"
[lints.rust.rust_2018_idioms]
level = "warn"
priority = -1