sci-form-0.15.2
- sci-form 0.15.2
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REP_KEXP

sci_form0.15.2

In sci_form::xtb::gfn2_params

sci_form::xtb::gfn2_params

Constant REP_KEXP

pub const REP_KEXP: f64 = 1.5;

Expand description

Repulsion exponent for heavy-atom pairs.