update pair_pace.rst
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.. index:: pair_style pace
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.. index:: pair_style pace
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.. index:: pair_style pace/kk
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.. index:: pair_style pace/kk
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.. index:: pair_style pace/extrapolation
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.. index:: pair_style pace/extrapolation
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.. index:: pair_style pace/extrapolation/kk
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pair_style pace command
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pair_style pace command
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=======================
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=======================
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@ -127,6 +128,9 @@ but not more often than every 20 steps.
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On all other steps `pair_style pace recursive` will be used.
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On all other steps `pair_style pace recursive` will be used.
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When using the pair style *pace/extrapolation* with the KOKKOS package on GPUs
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product B-basis evaluator is always used and only *linear* ASI is supported.
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----------
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----------
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See the :doc:`pair_coeff <pair_coeff>` page for alternate ways
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See the :doc:`pair_coeff <pair_coeff>` page for alternate ways
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.. _Lysogorskiy2022:
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.. _Lysogorskiy2022:
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**(Lysogorskiy2022)** Lysogorskiy, Bochkarev, Mrovec, Drautz, TBS (2022).
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**(Lysogorskiy2022)** Lysogorskiy, Bochkarev, Mrovec, Drautz, arXiv:2212.08716 (2022).
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