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- Constraint_algorithm abstract "In physical chemistry, a constraint algorithm is a computational method for satisfying constraints for bodies that obey Newton's equations of motion. There are three basic approaches to satisfying such constraints: choosing novel unconstrained coordinates ("internal coordinates"), introducing explicit constraint forces, and minimizing constraint forces implicitly by the technique of Lagrange multipliers or projection methods.Constraint algorithms are often applied to molecular dynamics simulations. Although such simulations are sometimes carried out in internal coordinates that automatically satisfy the bond-length and bond-angle constraints, they may also be carried out with explicit or implicit constraint forces for the bond lengths and bond angles. Explicit constraint forces typically shorten the time-step significantly, making the simulation less efficient computationally; in other words, more computer power is required to compute a trajectory of a given length. Therefore, internal coordinates and implicit-force constraint solvers are generally preferred.".
- Constraint_algorithm wikiPageID "9357898".
- Constraint_algorithm wikiPageRevisionID "572950200".
- Constraint_algorithm hasPhotoCollection Constraint_algorithm.
- Constraint_algorithm subject Category:Computational_chemistry.
- Constraint_algorithm subject Category:Computational_physics.
- Constraint_algorithm subject Category:Molecular_dynamics.
- Constraint_algorithm subject Category:Molecular_physics.
- Constraint_algorithm subject Category:Numerical_differential_equations.
- Constraint_algorithm type Abstraction100002137.
- Constraint_algorithm type Communication100033020.
- Constraint_algorithm type DifferentialEquation106670521.
- Constraint_algorithm type Equation106669864.
- Constraint_algorithm type MathematicalStatement106732169.
- Constraint_algorithm type Message106598915.
- Constraint_algorithm type NumericalDifferentialEquations.
- Constraint_algorithm type Statement106722453.
- Constraint_algorithm comment "In physical chemistry, a constraint algorithm is a computational method for satisfying constraints for bodies that obey Newton's equations of motion.".
- Constraint_algorithm label "Constraint algorithm".
- Constraint_algorithm sameAs m.0285syg.
- Constraint_algorithm sameAs Q5164368.
- Constraint_algorithm sameAs Q5164368.
- Constraint_algorithm sameAs Constraint_algorithm.
- Constraint_algorithm wasDerivedFrom Constraint_algorithm?oldid=572950200.
- Constraint_algorithm isPrimaryTopicOf Constraint_algorithm.