pub fn flatten_grad(&self, flat: &[f64], bond_grads: &[BondGrad]) -> Vec<f64> {
        match self {
            RelaxationOptimizationHelper::ParamBased(helper) => helper.flatten_grad(flat, bond_grads),
            RelaxationOptimizationHelper::LatticeBased(helper) => helper.flatten_grad(flat, bond_grads),
        }
    }
/// Get the effective gradient on the coordinates in the flattened representation
/// given gradients with respect to the cartesian bond vectors.
Get the effective gradient on the coordinates in the flattened representation
given gradients with respect to the cartesian bond vectors.
Get the effective gradient on the coordinates in the flattened representation given gradients with respect to the cartesian bond vectors .
pub fn flatten_grad(&self, flat: &[f64], bond_grads: &[BondGrad]) -> Vec<f64> {
        match self {
            RelaxationOptimizationHelper::ParamBased(helper) => helper.flatten_grad(flat, bond_grads),
            RelaxationOptimizationHelper::LatticeBased(helper) => helper.flatten_grad(flat, bond_grads),
        }
    }
pub fn flatten_grad ( & self , flat : & [ f64 ] , bond_grads : & [ BondGrad ] ) -> Vec < f64 > { match self { RelaxationOptimizationHelper :: ParamBased ( helper ) => helper . flatten_grad ( flat , bond_grads ) , RelaxationOptimizationHelper :: LatticeBased ( helper ) => helper . flatten_grad ( flat , bond_grads ) , } }
Get the effective gradient on the coordinates in the flattened representation
given gradients with respect to the cartesian bond vectors.
Get the effective gradient on the coordinates in the flattened representation given gradients with respect to the cartesian bond vectors .
&self
flat
&[f64]
bond_grads
&[BondGrad]
&self
flat
&[f64]
bond_grads
&[BondGrad]