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```
First, let me thank you for providing and taking care for this great toolkit!
I've been using it for a while and it opened lots of new possibilities for my
research!
What steps will reproduce …
-
```
First, let me thank you for providing and taking care for this great toolkit!
I've been using it for a while and it opened lots of new possibilities for my
research!
What steps will reproduce …
-
```
First, let me thank you for providing and taking care for this great toolkit!
I've been using it for a while and it opened lots of new possibilities for my
research!
What steps will reproduce …
-
As of now the generate-potentials.m notebook needs to be edited every time the potential changes. The problem is that i need to edit the notebook every time i switch a potential and there are bound to…
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```
First, let me thank you for providing and taking care for this great toolkit!
I've been using it for a while and it opened lots of new possibilities for my
research!
What steps will reproduce …
-
```
First, let me thank you for providing and taking care for this great toolkit!
I've been using it for a while and it opened lots of new possibilities for my
research!
What steps will reproduce …
-
Here are the discussion topics suggested for this year's workshop. We will cycle through them throughout the week:
- Trajectories
- Collections + providing data for training ML potentials
- Prope…
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Hello everyone,
thanks a lot first of all for the great plugin. I just wanted to raise the following limitation. Suppose one wants to use other "custom" pair styles, e.g. from patched version using n…
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Hi, is there a way to define bond-bond and bond-angle cross terms in three-body potentials
(e.g. [k1*(r12 - r1) + k2*(r13 - r2)]*(theta-theta0) ) directly in xml format using (as I don't suppose Cu…
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**Summary**
Provide a new pair_style and pair_write option for cubic splines to be input and output directly in terms of the location of the knots and the spline coefficients at the knots.
**Det…