Tomás Fernández Bouvier

icon indicating an email [email protected]

icon location København, Denmark icon location I am currently coursing my 2nd year as a master student in a physics degree (study track in computational physics) at University of Copenhague.

Results 3 issues of Tomás Fernández Bouvier

Learning to predict defect structures

9 comment

For my project we need to predict properly defects e.g self interstitials, vacancies, dumbells etc. Those structures are defined as defects within a non defected structure. For example in Silicon...

investigate

[Feature Request] Fix deposition rate specified in time units

**Summary** The fix deposition command currently only allows to specify the rate at which atoms are inserted in timesteps. Is it possible to add an alternative parameter to specify the...

enhancement
volunteer_needed

Dealing with nan values

When feeding np.nan values as elements of the values list in functions such as Buddycheck or SCT the kernel dies. This is specially important in order to avoid feading clear...