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

[Ask Hjorth Larsen]

Hi,

2018-01-22 13:16 GMT+01:00 Jens Jørgen Mortensen via ase-users
<ase-users at listserv.fysik.dtu.dk>:
> 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

I did not quite understand this one - so this is only when there are
cached results on the calculator?  Repetition in 'normal' cases seems
to work.

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

Is it a big problem that new trajectories are not readable with old
versions?  This is a difference of 6 releases after all.

Best regards
Ask

>
> 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/
>>
>>
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>> ase-users at listserv.fysik.dtu.dk
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>
>
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