Constraint (computational chemistry)
id:
constraint-computational-chemistry-257-13408113
title:
Constraint (computational chemistry)
text:
In computational chemistry, a constraint algorithm is a method for satisfying the Newtonian motion of a rigid body which consists of mass points. A restraint algorithm is used to ensure that the distance between mass points is maintained. The general steps involved are: (i) choose novel unconstrained coordinates, (ii) introduce explicit constraint forces, (iii) minimize constraint forces implicitly by the technique of Lagrange multipliers or projection methods. Constraint algorithms are often ap
brand slug:
wiki
category slug:
encyclopedia
description:
Method for satisfying the Newtonian motion of a rigid body which consists of mass points
original url:
https://en.wikipedia.org/wiki/Constraint_(computational_chemistry)
date created:
date modified:
2024-04-08T16:18:10Z
main entity:
{"identifier":"Q5164368","url":"https://www.wikidata.org/entity/Q5164368"}
image:
fields total:
13
integrity:
14