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NonbondedInteractions

qualia_core_db::specialized_libs::chemistry_modeling

Struct NonbondedInteractions 

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pub struct NonbondedInteractions { /* private fields */ }
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Nonbonded interactions

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impl NonbondedInteractions

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pub fn new() -> Self

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pub fn lennard_jones(&self) -> &LennardJones

Borrow the Lennard-Jones potential parameters.

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pub fn lennard_jones_mut(&mut self) -> &mut LennardJones

Mutably borrow the Lennard-Jones potential parameters.

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pub fn coulomb(&self) -> &Coulomb

Borrow the Coulomb potential parameters.

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pub fn coulomb_mut(&mut self) -> &mut Coulomb

Mutably borrow the Coulomb potential parameters.

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pub fn buckingham(&self) -> &Buckingham

Borrow the Buckingham potential parameters.

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pub fn buckingham_mut(&mut self) -> &mut Buckingham

Mutably borrow the Buckingham potential parameters.

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