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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//! Pair potential kernels.

pub mod buck;
pub mod coul_cut;
pub mod lj_class2;
pub mod lj_cut;
pub mod mmff;
pub mod morse;
pub mod tang_toennies;
pub mod thole;

pub use buck::{PairBuck, pair_buck_ctor};
pub use coul_cut::{COULOMB_CONSTANT, PairCoulCut, pair_coul_cut_ctor};
pub use lj_class2::{PairLJClass2, pair_lj_class2_ctor};
pub use lj_cut::{PairLJCut, pair_lj_cut_ctor};
pub use mmff::{MMFFElectrostatic, MMFFVdW, mmff_ele_ctor, mmff_vdw_ctor};
pub use morse::{PairMorse, pair_morse_ctor};
pub use tang_toennies::{PairTangToennies, pair_tang_toennies_ctor};
pub use thole::{PairThole, pair_thole_ctor};