[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
>
>
>
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