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ForcesNumerDeriv__VC_710586816390_000

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 face-centered cubic (fcc) cube base 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 tadmor
Maintainer tadmor
Creator Ellad Tadmor
Publication Year 2017
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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VC_710586816390_000
Extended KIM ID
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ForcesNumerDeriv__VC_710586816390_000
Citable Link https://openkim.org/cite/VC_710586816390_000
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
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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