molar 0.9.1

Molar is a rust library for analysis of MD trajectories and molecular modeling
Documentation 
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[[bench]]
harness = false
name = "comparison_large"
path = "benches/comparison_large.rs"

[[bench]]
harness = false
name = "comparison_small"
path = "benches/comparison_small.rs"

[[bench]]
harness = false
name = "fit_benchmark"
path = "benches/fit_benchmark.rs"

[[bench]]
name = "within_size_bench"
path = "benches/within_size_bench.rs"

[dependencies.anyhow]
version = "1.0.97"

[dependencies.clap]
features = ["derive"]
version = "4.5"

[dependencies.comfy-table]
version = "7.1"

[dependencies.itertools]
version = "0.14.0"

[dependencies.log]
version = "0.4.27"

[dependencies.molar_gromacs]
version = "0.9.0"

[dependencies.molar_molfile]
version = "0.9.0"

[dependencies.molar_powersasa]
version = "0.9.0"

[dependencies.molar_xdrfile]
version = "0.9.0"

[dependencies.nalgebra]
version = "0.33.2"

[dependencies.ndarray]
version = "0.16.0"

[dependencies.num-traits]
version = "0.2.16"

[dependencies.peg]
version = "0.8.5"

[dependencies.rayon]
version = "1.8"

[dependencies.regex]
version = "1.11.1"

[dependencies.rustc-hash]
version = "2.1.0"

[dependencies.serde]
features = ["derive"]
version = "1.0"

[dependencies.sorted-vec]
version = "0.8.5"

[dependencies.sync-unsafe-cell]
version = "0.1.1"

[dependencies.thiserror]
version = "2.0.12"

[dependencies.triomphe]
default-features = false
features = ["std"]
version = "0.1.14"

[dev-dependencies.criterion]
features = ["html_reports"]
version = "0.5"

[features]
gen_bindings = ["molar_gromacs/gen_bindings"]

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

[package]
authors = ["Semen Yesylevskyy <yesint4@yahoo.com>"]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = "build.rs"
categories = ["science", "simulation", "external-ffi-bindings"]
description = "Molar is a rust library for analysis of MD trajectories and molecular modeling"
documentation = "https://docs.rs/molar"
edition = "2021"
exclude = ["tests/*.xtc"]
homepage = "https://github.com/yesint/molar"
keywords = ["MD", "science", "trajectory", "modeling"]
license = "Artistic-2.0"
name = "molar"
readme = "README.md"
repository = "https://github.com/yesint/molar"
version = "0.9.1"

[package.metadata.docs.rs]
no-default-features = true

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