Update reference in pair_pace.rst
Update reference to extrapolation grade paper (Phys Rev M)
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@ -91,7 +91,7 @@ Extrapolation grade
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Calculation of extrapolation grade in PACE is implemented in `pair_style
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pace/extrapolation`. It is based on the MaxVol algorithm similar to
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Moment Tensor Potential (MTP) by Shapeev et al. and is described in
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:ref:`(Lysogorskiy2) <Lysogorskiy2022>`. In order to compute
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:ref:`(Lysogorskiy2) <Lysogorskiy2023>`. In order to compute
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extrapolation grade one needs to provide:
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#. ACE potential in B-basis form (`.yaml` format) and
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@ -188,6 +188,6 @@ recursive, chunksize = 4096,
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**(Lysogorskiy)** Lysogorskiy, van der Oord, Bochkarev, Menon, Rinaldi, Hammerschmidt, Mrovec, Thompson, Csanyi, Ortner, Drautz, npj Comp Mat, 7, 97 (2021).
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.. _Lysogorskiy2022:
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.. _Lysogorskiy2023:
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**(Lysogorskiy2022)** Lysogorskiy, Bochkarev, Mrovec, Drautz, arXiv:2212.08716 (2022).
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**(Lysogorskiy2023)** Lysogorskiy, Bochkarev, Mrovec, Drautz, Phys Rev Mater, 7, 043801 (2023) / arXiv:2212.08716 (2022).
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