Update reference in pair_pace.rst

Update reference to extrapolation grade paper (Phys Rev M)
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2023-04-13 10:58:57 +02:00
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@ -91,7 +91,7 @@ Extrapolation grade
Calculation of extrapolation grade in PACE is implemented in `pair_style
pace/extrapolation`. It is based on the MaxVol algorithm similar to
Moment Tensor Potential (MTP) by Shapeev et al. and is described in
:ref:`(Lysogorskiy2) <Lysogorskiy2022>`. In order to compute
:ref:`(Lysogorskiy2) <Lysogorskiy2023>`. In order to compute
extrapolation grade one needs to provide:
#. ACE potential in B-basis form (`.yaml` format) and
@ -188,6 +188,6 @@ recursive, chunksize = 4096,
**(Lysogorskiy)** Lysogorskiy, van der Oord, Bochkarev, Menon, Rinaldi, Hammerschmidt, Mrovec, Thompson, Csanyi, Ortner, Drautz, npj Comp Mat, 7, 97 (2021).
.. _Lysogorskiy2022:
.. _Lysogorskiy2023:
**(Lysogorskiy2022)** Lysogorskiy, Bochkarev, Mrovec, Drautz, arXiv:2212.08716 (2022).
**(Lysogorskiy2023)** Lysogorskiy, Bochkarev, Mrovec, Drautz, Phys Rev Mater, 7, 043801 (2023) / arXiv:2212.08716 (2022).