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  2. Constraint (computational chemistry) - Wikipedia

    en.wikipedia.org/wiki/Constraint_(computational...

    Hybrid methods have also been introduced in which the constraints are divided into two groups; the constraints of the first group are solved using internal coordinates whereas those of the second group are solved using constraint forces, e.g., by a Lagrange multiplier or projection method.

  3. Lagrange multiplier - Wikipedia

    en.wikipedia.org/wiki/Lagrange_multiplier

    The Lagrange multiplier theorem states that at any local maximum (or minimum) of the function evaluated under the equality constraints, if constraint qualification applies (explained below), then the gradient of the function (at that point) can be expressed as a linear combination of the gradients of the constraints (at that point), with the ...

  4. Duality (optimization) - Wikipedia

    en.wikipedia.org/wiki/Duality_(optimization)

    This solution gives the primal variables as functions of the Lagrange multipliers, which are called dual variables, so that the new problem is to maximize the objective function with respect to the dual variables under the derived constraints on the dual variables (including at least the nonnegativity constraints). In general given two dual ...

  5. Constrained optimization - Wikipedia

    en.wikipedia.org/wiki/Constrained_optimization

    If the constrained problem has only equality constraints, the method of Lagrange multipliers can be used to convert it into an unconstrained problem whose number of variables is the original number of variables plus the original number of equality constraints. Alternatively, if the constraints are all equality constraints and are all linear ...

  6. Score test - Wikipedia

    en.wikipedia.org/wiki/Score_test

    Since function maximization subject to equality constraints is most conveniently done using a Lagrangean expression of the problem, the score test can be equivalently understood as a test of the magnitude of the Lagrange multipliers associated with the constraints where, again, if the constraints are non-binding at the maximum likelihood, the ...

  7. Lagrangian mechanics - Wikipedia

    en.wikipedia.org/wiki/Lagrangian_mechanics

    The additional term in the Euler Lagrange equations, in the case of Cartesian coordinate system can be interpreted as force that is perpendicular to the constraint surface i.e. parallel to gradient of the constraint equation. The method of Lagrange constraint applies in the same manner for generalized coordinates due to invariance property of ...

  8. Calculus of variations - Wikipedia

    en.wikipedia.org/wiki/Calculus_of_Variations

    A simple example of such a problem is to find the curve of shortest length connecting two points. If there are no constraints, the solution is a straight line between the points. However, if the curve is constrained to lie on a surface in space, then the solution is less obvious, and possibly many solutions may exist.

  9. Augmented Lagrangian method - Wikipedia

    en.wikipedia.org/wiki/Augmented_Lagrangian_method

    Augmented Lagrangian methods are a certain class of algorithms for solving constrained optimization problems. They have similarities to penalty methods in that they replace a constrained optimization problem by a series of unconstrained problems and add a penalty term to the objective, but the augmented Lagrangian method adds yet another term designed to mimic a Lagrange multiplier.