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ForcesNumerDeriv__VC_710586816390_001

Title
A single sentence description.
Force Numerical Derivative Check using Richardson Extrapolation
Description Comparison of the analytical forces obtained from the model with forces computed by numerical differentiation using Richardson extrapolation for a randomly distorted non-periodic structure based off the equilibrium face-centered cubic (fcc) structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files.
Disclaimer
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None
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Published on KIM 2017
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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VC_710586816390_001
Extended KIM ID
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ForcesNumerDeriv__VC_710586816390_001
Citable Link https://openkim.org/cite/VC_710586816390_001
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
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100.00% Python
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