Update pair_pace.rst
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@ -48,9 +48,9 @@ Description
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Pair style *pace* computes interactions using the Atomic Cluster
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Expansion (ACE), which is a general expansion of the atomic energy in
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multi-body basis functions. :ref:`(Drautz) <Drautz20191>`. The *pace*
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multi-body basis functions. :ref:`(Drautz19) <Drautz20191>`. The *pace*
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pair style provides an efficient implementation that is described in
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this paper :ref:`(Lysogorskiy) <Lysogorskiy20211>`.
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this paper :ref:`(Lysogorskiy21) <Lysogorskiy20211>`.
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In ACE, the total energy is decomposed into a sum over atomic
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energies. The energy of atom *i* is expressed as a linear or non-linear
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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) <Lysogorskiy2023>`. In order to compute
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:ref:`(Lysogorskiy23) <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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@ -182,12 +182,12 @@ recursive, chunksize = 4096,
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.. _Drautz20191:
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**(Drautz)** Drautz, Phys Rev B, 99, 014104 (2019).
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**(Drautz19)** Drautz, Phys Rev B, 99, 014104 (2019).
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.. _Lysogorskiy20211:
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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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**(Lysogorskiy21)** Lysogorskiy, van der Oord, Bochkarev, Menon, Rinaldi, Hammerschmidt, Mrovec, Thompson, Csanyi, Ortner, Drautz, npj Comp Mat, 7, 97 (2021).
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.. _Lysogorskiy2023:
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**(Lysogorskiy2023)** Lysogorskiy, Bochkarev, Mrovec, Drautz, Phys Rev Mater, 7, 043801 (2023) / arXiv:2212.08716 (2022).
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**(Lysogorskiy23)** Lysogorskiy, Bochkarev, Mrovec, Drautz, Phys Rev Mater, 7, 043801 (2023) / arXiv:2212.08716 (2022).
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