molcrafts-molrs 0.7.0

Molecular simulation toolkit: core data structures, IO, trajectory analysis, force fields, SMILES, and 3D conformer generation (feature-gated modules)
Documentation
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//! Spatial primitives: simulation regions ([`SimBox`](region::SimBox)),
//! neighbor-list algorithms, and geometric utilities.

pub mod geometry;
pub mod neighbors;
pub mod region;