[ase-users] Some glitches in ASE-3.15.x

Jens Jørgen Mortensen jjmo at dtu.dk
Mon Jan 22 13:16:59 CET 2018


On 01/22/2018 11:33 AM, Chang Liu via ase-users wrote:
>
> Hello again,
>
>
> I am sorry for expressing the second problem in a wrong way. It is 
> actually "the non-pickle trajectory files created with the 3.15.x 
> versions cannot be visualized by older versions like 3.9.1."
>

Thanks you for your feedback.

We are working on your glitch number 1 here:

     https://gitlab.com/ase/ase/merge_requests/682

Glitch number 2: We could try to fix that in the next release, but I 
can't promise anything.

Jens  Jørgen

>
> Best wishes,
> Chang Liu
> ----------------------------------------------------------
>                         Chang Liu
>                        PhD student
> Fysikum, Albanova, Stockholm University
>        S-106 91 Stockholm, Sweden
>  +46 767159891
> http://xsolasgroup.fysik.su.se/
> ------------------------------------------------------------------------
> *From:* ase-users-bounces at listserv.fysik.dtu.dk 
> <ase-users-bounces at listserv.fysik.dtu.dk> on behalf of Chang Liu via 
> ase-users <ase-users at listserv.fysik.dtu.dk>
> *Sent:* Monday, January 22, 2018 9:52 AM
> *To:* ase-users
> *Subject:* [ase-users] Some glitches in ASE-3.15.x
>
> Hello,
>
>
> There are 2 glitches in the ASE-3.15.x versions (both stable and dev):
>
>
> 1. The ase gui cannot repeat the visualized structure as previous 
> version. (-r x,y,z can do the same thing though)
>
>
> 2. The non-pickle trajectory files created with older versions like 
> 3.9.1 cannot be visualized by 3.15.x. When doing so, the following 
> error pops out:
>
> "
>
> /IndexError: list index out of range/
> /To get a full traceback, use: ase-gui --verbose/
> /"/
> Thank you very much!
>
>
>
> Best wishes,
> Chang Liu
> ----------------------------------------------------------
>                         Chang Liu
>                        PhD student
> Fysikum, Albanova, Stockholm University
>        S-106 91 Stockholm, Sweden
>      +46 767159891
> http://xsolasgroup.fysik.su.se/
>
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users



More information about the ase-users mailing list