Update docs.md

[mi-ayala]

min_dist is not a keyword argument anymore.

[codecov[bot]]

Codecov Report

Base: 83.87% // Head: 83.87% // No change to project coverage :thumbsup:

Coverage data is based on head (4783949) compared to base (90454c3). Patch has no changes to coverable lines.

Additional details and impacted files

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##           master     #100   +/-   ##
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  Coverage   83.87%   83.87%           
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  Files          32       32           
  Lines        3796     3796           
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  Hits         3184     3184           
  Misses        612      612           

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[jgreener64]

It is on v0.13.0, are you using that version?

[mi-ayala]

Hi Joe,

I see. Thank you! I'm really sorry. I'll be more careful next time. I'm very new to your library.

Could you give me some advice about molecule dynamics (or maybe you know someone I could ask)? I'm doing a Ph.D. in Math at McGill, working on computer-assisted proofs.

In one of my projects, I would like to do simulations with a Tersoff kind of potential (interactions depend on the angles between the particle and its first neighbours, I have attached the paper from where I've got the potential) to see if I could apply my computer-assisted proving methods to an example with an empirical potential.

However, I've been struggling to find a way of doing those simulations. It is unclear to me what would be the way of implementing a potential like that. Do you know any example of code I could look at that could be helpful?

Thank you and sorry for the bother, Miguel

---

From: Joe Greener @.> Sent: Wednesday, September 14, 2022 12:45 PM To: JuliaMolSim/Molly.jl @.> Cc: Miguel Angel Guadarrama Ayala @.>; Author @.> Subject: Re: [JuliaMolSim/Molly.jl] Update docs.md (PR #100)

It is on v0.13.0, are you using that version?

— Reply to this email directly, view it on GitHubhttps://github.com/JuliaMolSim/Molly.jl/pull/100#issuecomment-1247038707, or unsubscribehttps://github.com/notifications/unsubscribe-auth/ARE4FGK7EERZFGFK4Y6U67DV6H6LDANCNFSM6AAAAAAQMRG644. You are receiving this because you authored the thread.Message ID: @.***>

[JaydevSR]

Hi @mi-ayala, can you open an issue regarding implementing such a potential. I am sure we can discuss on this and see what works there (instead in a PR thread). Also, please share the link to the paper you are referring to in the issue as it seems that email attachments are not visible on GitHub. Thanks.