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GitHub / lumol-org / lumol

Universal extensible molecular simulation engine

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lumol-org%2Flumol

Stars: 183
Forks: 18
Open Issues: 42

License: bsd-3-clause
Language: Rust
Repo Size: 4.53 MB
Dependencies: 47

Created: about 9 years ago
Updated: 26 days ago
Last pushed: 4 months ago
Last synced: 22 days ago

Topics: atomistic-simulations, computational-chemistry, molecular-dynamics, molecular-simulation, monte-carlo

Files

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Readme

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Dependencies

Cargo.toml cargo

criterion 0.3.3 development
env_logger 0.8 development
rand 0.8 development
rand_xorshift 0.3 development
tempfile 3 development
backtrace 0.3
chrono 0.4
clap 2
log 0.4

lumol-core/Cargo.toml cargo

approx 0.4 development
tempfile 3 development
bitflags 1
chemfiles 0.9
lazy_static 1
log 0.4
log-once 0.3
ndarray 0.14
num-traits 0.2
rayon 1
soa_derive 0.10
special 0.8
thread_local 1

lumol-input/Cargo.toml cargo

env_logger 0.8 development
rustc-test 0.3 development
walkdir 2 development
anyhow 1
log 0.4
log4rs 1
toml 0.5

lumol-sim/Cargo.toml cargo

approx 0.4 development
tempfile 3 development
caldyn 0.4
log 0.4
log-once 0.3
num-traits 0.2
rand 0.8
rand_distr 0.4
rand_xorshift 0.3
soa_derive 0.8

doc/requirements.txt pypi

scripts/requirements.txt pypi