GMIN TESTS module

From Docswiki
Revision as of 18:23, 10 May 2019 by Adk44 (talk | contribs) (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...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

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)