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src/potentials/mod.rs
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+//! Molecular mechanics potential energy functions.
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+//!
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+//! This module organizes the physical interaction kernels used in the DREIDING force field.
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+//! These kernels are pure functions that compute potential energy and force derivatives
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+//! based on geometric parameters (distances, angles) and force field constants.
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+//! # Categories
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+//! - [`bonded`]: Intramolecular interactions (covalent bonds, angles, dihedrals).
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+//! - [`nonbonded`]: Intermolecular and non-bonded intramolecular interactions (VDW, Electrostatics).
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+
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pub mod bonded;
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pub mod nonbonded;
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