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From: Sayan S. <say...@br...> - 2021-02-04 06:02:07
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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 >>> _______________________________________________ >>> potfit-users mailing list >>> pot...@li... >>> https://lists.sourceforge.net/lists/listinfo/potfit-users >>> >>> _______________________________________________ >>> potfit-users mailing list >>> pot...@li... >>> https://lists.sourceforge.net/lists/listinfo/potfit-users >>> >> _______________________________________________ >> potfit-users mailing list >> pot...@li... >> https://lists.sourceforge.net/lists/listinfo/potfit-users >> > _______________________________________________ > potfit-users mailing list > pot...@li... > https://lists.sourceforge.net/lists/listinfo/potfit-users > |