# Tag Info

### Can a highly-cited published paper have this type of error?

Many published papers, even extremely highly cited ones by what you call "serious" authors, have issues like these. Consider for example this one which currently has 862 Google Scholar ...
• 29.1k
Accepted

### Is the DYNAMO code developed by LAMMPS still available?

This is Steve Plimpton. So far as I know there is no official DYNAMO website or download location. The code long pre-dates the popularity of source code "repositories". It was developed by Daw and ...

### Can a highly-cited published paper have this type of error?

I was actually going to provide this as a comment as this in itself is not a proper answer. But since this got a bit too lengthy for a comment, I am providing this as an answer. It is possible for a ...
• 2,528
Accepted

### How does one compute the boiling point of a liquid made of a particular molecule?

I would like to start off by saying this is first and foremost a thermodynamic problem. Secondly, and as a result of thermodynamics, refer to Gibbs Phase Rule which says F = C - P + 2 ...
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### Is the DYNAMO code developed by LAMMPS still available?

There is a page on the Sandia labs website that includes download links for all the software developed by Steve Plimpton. It sounds as if he reimplemented all the functionality of DYNAMO into a ...
• 14.3k
Accepted

### How to rectify the error "Lost atoms: original 28437 current 3659" in LAMMPS?

The "Lost atoms" error typically happens when huge forces blow up an MD calculation. This is also the problem here: The main issue are the units. The input parameters for reax force fields ...
• 1,351

### Creating Interatomic Potential for Lammps using DFT

The following are three important aspects of any force-field fitting workflow, Training Data: There should be DFT/experimental values that define structure, energetics, elastics or any other ...

### Is the DYNAMO code developed by LAMMPS still available?

I should also mention that there are several repositories on the web of interatomic potentials, which include many, many EAM files for different materials. These are the files that a code like DYNAMO ...

• 3,267
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### Best protocol for finding liquid–solid coexistence curve in molecular dynamics?

I'm not an expert in this area, but I think there are currently several approaches to this, none of them undisputed. Maybe this recent paper that tests a few of those methods will provide some ideas/...
• 376

### Selection of appropriate Langevin damping parameter for MD of solid metal

I know it's a boring thing to say, but: It depends on what you want to do. The way I use Langevin thermostats, is to ensure good equipartitioning in my setup, so that I don't have any local hotspots ...
• 586
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### Empirically determining thermostat damping factor

To the best of my knowledge, there is no universal or even near-universal heuristic for what the time constant should be. The only rule of thumb I have encountered is that the time constant should be ...

### How to make input script file for nanoparticle using LAMMPS?

Atomsk You can use this software to play with the structure and then, generate de coordinate file for you program. Atomsk is a free, Open Source command-line program dedicated to the creation, ...
• 19.2k