26 lines
592 B
Markdown
26 lines
592 B
Markdown
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# min_style
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```sh
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min_style minimizer
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```
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## Inputs
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`minimizer` - Either `fire` or `cg`.
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## Examples
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```sh
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min_style fire
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min_style cg
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```
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## Description
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This code sets the minimizer for future `minimize` commands.
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Currently CAC has implemented both conjugate gradient minimization, `cg`, and the fast inertial relaxation engine [1], `fire`.
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## References
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[1] Guénolé, Julien et al. "Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps" Computational Materials Science (2020)
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