Sentence examples for analytical derivatives from inspiring English sources

Expressions for analytical derivatives are derived for both function-based and derivative-based training.

The maximization follows the BFGS method with analytical derivatives.

The analytical derivatives of the eigenvalues are used in the design process.

The harmonic frequencies are computed from analytical derivatives for all species in order to define the minimum energy structures.

The analytical derivatives improve the computational performance by a factor between 12 and 35 as compared to finite difference approximations.

The forcefield can be differentiated, so that we can use analytical derivatives for optimising the energy minimisation and for calculating forces for dynamics trajectories.

The force on each atom was calculated from the analytical derivative of the modified Tersoff Brenner potential [16].

A method to locate minimum energy conical intersection (MECI) points with the analytical derivative technique for multistate complete active space second-order perturbation theory is presented.

An approach is suggested to compute the eigenvalue and eigenvector sensitivities of the Hamilton matrix, which are then used to calculate the analytical derivative of the stiffness matrix.

Using DAEPACK generated code, analytical derivative calculations, sparsity pattern information, and hidden discontinuity information can be obtained for the models of interest.

In the absence of an analytical derivative of B, the estimate is used instead.