molar 0.6.0

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

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

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

[dependencies.itertools]
version = "0.13.0"

[dependencies.log]
version = "0.4.22"

[dependencies.molar_gromacs]
optional = true
version = "0.2.2"

[dependencies.molar_molfile]
version = "0.1"

[dependencies.molar_powersasa]
version = "0.1"

[dependencies.molar_xdrfile]
version = "0.1"

[dependencies.nalgebra]
version = "0.33.0"

[dependencies.ndarray]
version = "0.16.0"

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

[dependencies.peg]
version = "0.8.1"

[dependencies.rayon]
version = "1.8"

[dependencies.regex]
version = "1.9.3"

[dependencies.rustc-hash]
version = "2.0.0"

[dependencies.sorted-vec]
version = "0.8.3"

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

[dependencies.thiserror]
version = "1.0.64"

[dependencies.thiserror_string_context]
version = "0.1.5"

[dependencies.triomphe]
default-features = false
features = ["std"]
version = "0.1.11"

[dev-dependencies.anyhow]
version = "1.0.89"

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

[features]
default = ["gromacs"]
gromacs = ["dep:molar_gromacs"]

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

[package]
authors = ["Semen Yesylevskyy <yesint4@yahoo.com>"]
autobenches = false
autobins = false
autoexamples = 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 = "0.6.0"

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