Re: [potfit-users] Question about energy_weight and stress_weight

[Sayan S. <say...@br...>]

Thank you so much. Have a good one.

Best
Sayan

Sayan Samanta
Ph.D candidate
Materials Science | School of Engineering
Brown University
Providence, RI 02912 USA
+1 (401) 699-1340


On Wed, Feb 3, 2021 at 11:17 PM Tom Badman <tom...@gm...> wrote:

>
> https://sourceforge.net/p/potfit/mailman/potfit-users/thread/CAEjWOsD2TV_-j33Est9Bb4phAFsiJU%3DO-efpPpG-ocuFmBrfzg%40mail.gmail.com/#msg36120237
>
> On Wed, Feb 3, 2021 at 8:50 PM Sayan Samanta <say...@br...>
> wrote:
>
>> Hi,
>>
>> I'm Sorry I couldn't find you :( Would you have time to send me a link
>> whenever you're free? I am not sure what my force weight is.
>>
>> Best
>> Sayan
>>
>> Sayan Samanta
>> Ph.D candidate
>> Materials Science | School of Engineering
>> Brown University
>> Providence, RI 02912 USA
>> +1 (401) 699-1340
>>
>>
>> On Wed, Feb 3, 2021 at 9:53 PM Tom Badman <tom...@gm...>
>> wrote:
>>
>>> Hey,
>>> Search the “issues” on github for my email address. I asked this
>>> question there. Divide the force weights by Natoms.
>>> Tom
>>>
>>> On Feb 3, 2021, at 3:40 PM, Sayan Samanta <say...@br...>
>>> wrote:
>>>
>>> 
>>> Hi,
>>>
>>> I have tried to dig through the source code but to fail.
>>>
>>> Based on what I understood from the documentation, the stress_weight
>>> and the energy_weight parameter refer to the different w_r terms in the
>>> Z_c portion of the target function.
>>>
>>> What I don't understand is what is the corresponding u_k. In other
>>> words, I'm unable to decide the proper scale for the weights.
>>>
>>> Any help would be appreciated. A short introduction, I'm a materials
>>> science doctoral candidate at Brown University trying to fit empirical
>>> potentials for metallic glasses (3-5 elements)
>>>
>>> Best
>>> Sayan
>>>
>>> Sayan Samanta
>>> Ph.D candidate
>>> Materials Science | School of Engineering
>>> Brown University
>>> Providence, RI 02912 USA
>>> +1 (401) 699-1340
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