[ase-users] Supported formats for eam calculator

Jens Jørgen Mortensen jjmo at dtu.dk
Mon Aug 6 08:44:56 CEST 2018


On 08/06/2018 07:23 AM, Yecheng Shao via ase-users wrote:
>
> Dear developers,
>
>        Recently I’ve found that the calculator for eam only supports 
> eam/alloy and eam/adq formats. However eam/fs,  another widely-used 
> format in lammps is not currently supported in ASE. I’m working on 
> this to make the eam calculator for my own purpose. If the case has 
> not been schedualed out, I can contribute my code to gitlab sooner 
> after I finish it.
>

I have not heard of anyone working on adding support for eam/fs so it 
would be great if you could contribute that.  Thanks!

Jens Jørgen

> Best regards,
>
> Yecheng
>
> --
> Yecheng SHAO, PhD Student
> Department of Engineering Mechanics
> Zhejiang University
> Hangzhou, Zhejiang 310027, China
> Tel: (86) 18357295981
> E-mail: shaoyecheng at zju.edu.cn
>
>
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20180806/8788e13c/attachment.html>


More information about the ase-users mailing list