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- Constraint_algorithm abstract "In computational chemistry, a constraint algorithm is a method for satisfying a Newtonian motion of a rigid which consists of mass points. By this algorithm, the distance between mass points is maintained constant. In general, the algorithm is constructed by following procedures; (i) choosing novel unconstrained coordinates (internal coordinates), (ii) introducing explicit constraint forces, (iii) 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 performed using internal coordinates that automatically satisfy the bond-length, bond-angle and torsion-angle constraints, simulations may also be performed using explicit or implicit constraint forces for these three constraints. However, explicit constraint forces give a cause of the inefficient computation; more computational power is required to get a trajectory of a given length. Therefore, internal coordinates and implicit-force constraint solvers are generally preferred.Constraint algorithms achieve efficient computational time by neglecting motions of intramolecular atoms. If intramolecular behavior is important, e.g. hydrogen bonding and its behavior, constraint algorithms should not be used.".
- Constraint_algorithm wikiPageID "9357898".
- Constraint_algorithm wikiPageLength "28483".
- Constraint_algorithm wikiPageOutDegree "40".
- Constraint_algorithm wikiPageRevisionID "677934392".
- Constraint_algorithm wikiPageWikiLink Block_matrix.
- Constraint_algorithm wikiPageWikiLink Category:Computational_chemistry.
- Constraint_algorithm wikiPageWikiLink Category:Computational_physics.
- Constraint_algorithm wikiPageWikiLink Category:Molecular_dynamics.
- Constraint_algorithm wikiPageWikiLink Category:Molecular_physics.
- Constraint_algorithm wikiPageWikiLink Category:Numerical_differential_equations.
- Constraint_algorithm wikiPageWikiLink Computational_chemistry.
- Constraint_algorithm wikiPageWikiLink Eigenvalues.
- Constraint_algorithm wikiPageWikiLink Eigenvalues_and_eigenvectors.
- Constraint_algorithm wikiPageWikiLink Euclidean_vector.
- Constraint_algorithm wikiPageWikiLink File:SHAKE.png.
- Constraint_algorithm wikiPageWikiLink Gauss-Seidel_method.
- Constraint_algorithm wikiPageWikiLink Gauss–Seidel_method.
- Constraint_algorithm wikiPageWikiLink Generalized_coordinate.
- Constraint_algorithm wikiPageWikiLink Generalized_coordinates.
- Constraint_algorithm wikiPageWikiLink Giovanni_Ciccotti.
- Constraint_algorithm wikiPageWikiLink Holonomic_constraints.
- Constraint_algorithm wikiPageWikiLink Jacobian_matrix_and_determinant.
- Constraint_algorithm wikiPageWikiLink Joseph-Louis_Lagrange.
- Constraint_algorithm wikiPageWikiLink Joseph_Louis_Lagrange.
- Constraint_algorithm wikiPageWikiLink LU_decomposition.
- Constraint_algorithm wikiPageWikiLink Lagrange_multiplier.
- Constraint_algorithm wikiPageWikiLink Lagrange_multipliers.
- Constraint_algorithm wikiPageWikiLink Linear_convergence.
- Constraint_algorithm wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
- Constraint_algorithm wikiPageWikiLink Molecular_dynamics.
- Constraint_algorithm wikiPageWikiLink Newton_iteration.
- Constraint_algorithm wikiPageWikiLink Newtons_method.
- Constraint_algorithm wikiPageWikiLink Quadratic_convergence.
- Constraint_algorithm wikiPageWikiLink Quasi-Newton_method.
- Constraint_algorithm wikiPageWikiLink Quaternion.
- Constraint_algorithm wikiPageWikiLink Rate_of_convergence.
- Constraint_algorithm wikiPageWikiLink TIP3P.
- Constraint_algorithm wikiPageWikiLink Vector_(geometric).
- Constraint_algorithm wikiPageWikiLink Velocity_Verlet.
- Constraint_algorithm wikiPageWikiLink Verlet_integration.
- Constraint_algorithm wikiPageWikiLink Water_model.
- Constraint_algorithm wikiPageWikiLinkText "Constraint algorithm".
- Constraint_algorithm wikiPageWikiLinkText "Constraint algorithm#The M-SHAKE algorithm".
- Constraint_algorithm wikiPageWikiLinkText "Constraint algorithm#The SETTLE algorithm".
- Constraint_algorithm wikiPageWikiLinkText "Constraint algorithm#The SHAKE algorithm".
- Constraint_algorithm wikiPageWikiLinkText "SHAKE algorithm".
- Constraint_algorithm wikiPageWikiLinkText "SHAKE".
- Constraint_algorithm wikiPageWikiLinkText "constraint algorithm".
- Constraint_algorithm wikiPageWikiLinkText "constraint condition".
- Constraint_algorithm wikiPageWikiLinkText "constraints".
- Constraint_algorithm hasPhotoCollection Constraint_algorithm.
- Constraint_algorithm wikiPageUsesTemplate Template:Reflist.
- 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 hypernym Method.
- Constraint_algorithm type Software.
- Constraint_algorithm type Algorithm.
- Constraint_algorithm type Dynamic.
- Constraint_algorithm type Physic.
- Constraint_algorithm comment "In computational chemistry, a constraint algorithm is a method for satisfying a Newtonian motion of a rigid which consists of mass points. By this algorithm, the distance between mass points is maintained constant.".
- Constraint_algorithm label "Constraint algorithm".
- Constraint_algorithm sameAs m.0285syg.
- Constraint_algorithm sameAs Q5164368.
- Constraint_algorithm sameAs Q5164368.
- Constraint_algorithm wasDerivedFrom Constraint_algorithm?oldid=677934392.
- Constraint_algorithm isPrimaryTopicOf Constraint_algorithm.