linkcell 0.3.7

Periodic linked-cell cutoff pairs and k-nearest neighbour search
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87

# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
#
# When uploading crates to the registry Cargo will automatically
# "normalize" Cargo.toml files for maximal compatibility
# with all versions of Cargo and also rewrite `path` dependencies
# to registry (e.g., crates.io) dependencies.
#
# If you are reading this file be aware that the original Cargo.toml
# will likely look very different (and much more reasonable).
# See Cargo.toml.orig for the original contents.

[package]
edition = "2021"
rust-version = "1.70"
name = "linkcell"
version = "0.3.7"
build = "build.rs"
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Periodic linked-cell cutoff pairs and k-nearest neighbour search"
homepage = "https://github.com/d-SEAMS/linkcell"
documentation = "https://docs.rs/linkcell"
readme = "README.md"
keywords = [
    "molecular-dynamics",
    "neighbours",
    "periodic",
    "cell-list",
]
categories = [
    "science",
    "algorithms",
]
license = "MIT"
repository = "https://github.com/d-SEAMS/linkcell"

[features]
capi = []
default = [
    "capi",
    "parallel",
]
parallel = ["dep:rayon"]

[lib]
name = "linkcell"
crate-type = [
    "rlib",
    "staticlib",
    "cdylib",
]
path = "src/lib.rs"

[[example]]
name = "knn_hot"
path = "examples/knn_hot.rs"

[[example]]
name = "knn_scale"
path = "examples/knn_scale.rs"

[[example]]
name = "pairs_scale"
path = "examples/pairs_scale.rs"

[[test]]
name = "abi"
path = "tests/abi.rs"
required-features = ["capi"]

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

[dependencies.minimage]
version = "0.1.3"

[dependencies.rayon]
version = "1.10"
optional = true

[profile.release]
lto = true
codegen-units = 1