dftd3 0.1.0

FFI bindings and wrappers of simple-dftd3
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[dependencies.derive_builder]
version = "0.20"

[dependencies.duplicate]
version = "2.0"

[dev-dependencies.approx]
version = "0.5"

[dev-dependencies.rstest]
version = "0.25"

[[example]]
doc-scrape-examples = true
name = "energy_r2scan_d3bj"
path = "examples/energy_r2scan_d3bj.rs"

[[example]]
doc-scrape-examples = true
name = "energy_r2scan_d3zero"
path = "examples/energy_r2scan_d3zero.rs"

[[example]]
doc-scrape-examples = true
name = "gradient_r2scan_d3bj"
path = "examples/gradient_r2scan_d3bj.rs"

[[example]]
doc-scrape-examples = true
name = "test_interface"
path = "examples/test_interface.rs"

[features]
gcp = []

[lib]
name = "dftd3"
path = "src/lib.rs"

[package]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = "build.rs"
categories = ["science"]
description = "FFI bindings and wrappers of simple-dftd3"
edition = "2021"
keywords = ["ffi", "chemistry"]
license = "LGPL-3.0"
name = "dftd3"
readme = "readme.md"
repository = "https://github.com/RESTGroup/dftd3-rs"
version = "0.1.0"

[package.metadata.docs.rs]
all-features = true
cargo-args = ["-Zunstable-options", "-Zrustdoc-scrape-examples", "--document-private-items"]