GMIN TESTS module: Difference between revisions
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(Created page with "'''This module is not yet implemented - if you want to do it - go right ahead!''' ==Introduction== This module is to be implemented in GMIN. It will contain tests of rou...") |
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Latest revision as of 17:23, 10 May 2019
This module is not yet implemented - if you want to do it - go right ahead!
Introduction
This module is to be implemented in GMIN. It will contain tests of routines such as those in the new GMIN MOVES module. For CARTESIAN_SPHERE for example we could check that:
- the average displacement of an atom is 0 after a large number of moves
- the coordinates are never displaced more than the maximum intended step (MAX_STEP)
--Csw34 17:23, 14 April 2014 (UTC)