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Implementing a new Reactive Forcefield

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AsifShah:
Dear Admin,
I am trying to implement a new MoS2 reactive forcefield file into my simulation. The method I use is as follows:

1. I send the configuration to workflow and then choose the forcefield calculator. Then, I choose some inbuilt forcefield and add an optimization block.
2. Then send it to editor with all details present.
3. Then change reactive forcefield parameters with new parameters.

But it shows error. I have attached the python file and as well as the reactive forcefield parameter file. Kindly look into the matter why simulations shows error "Segmentation fault- core dumped"

Thanks
Regards

AsifShah:
Dear Admin,

Kindly help in this regard.

Julian Schneider:
Dear Asif,

We will check and get back to you.

AsifShah:
Dear Admin,
Sure. Looking forward to your response.

AsifShah:
Dear Admin,
Any update on this?
Here is the actual paper where this ReaxFF was implemented


https://pubs.acs.org/doi/10.1021/acs.jpcc.2c01075#:~:text=Abstract-,We%20present%20a%20new%20Reactive%20Force%20Field%20(ReaxFF)%20parameter%20set,simulations%20of%20Mo%2DS%20structures.&text=2-,structure%20in%20crystallization%20simulations.,unknown%20rock%20salt%20MoS%20structure.

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