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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//! Improper (out-of-plane) potential kernels.

pub mod cvff;
pub mod harmonic;
pub mod mmff;
pub mod periodic;

pub use cvff::{ImproperCvff, improper_cvff_ctor};
pub use harmonic::{ImproperHarmonic, improper_harmonic_ctor};
pub use mmff::{MMFFOutOfPlane, mmff_oop_ctor};
pub use periodic::{ImproperPeriodic, improper_periodic_ctor};