From cfbc2d88944ffa03852e81f5176d11cde7622088 Mon Sep 17 00:00:00 2001 From: Yury Lysogorskiy Date: Tue, 3 Jan 2023 14:48:25 +0100 Subject: [PATCH] update pair_pace.rst --- doc/src/pair_pace.rst | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/doc/src/pair_pace.rst b/doc/src/pair_pace.rst index 697a9965b6..01f7df63f6 100644 --- a/doc/src/pair_pace.rst +++ b/doc/src/pair_pace.rst @@ -1,6 +1,7 @@ .. index:: pair_style pace .. index:: pair_style pace/kk .. index:: pair_style pace/extrapolation +.. index:: pair_style pace/extrapolation/kk pair_style pace command ======================= @@ -127,6 +128,9 @@ but not more often than every 20 steps. On all other steps `pair_style pace recursive` will be used. +When using the pair style *pace/extrapolation* with the KOKKOS package on GPUs +product B-basis evaluator is always used and only *linear* ASI is supported. + ---------- See the :doc:`pair_coeff ` page for alternate ways @@ -186,4 +190,4 @@ recursive, chunksize = 4096, .. _Lysogorskiy2022: -**(Lysogorskiy2022)** Lysogorskiy, Bochkarev, Mrovec, Drautz, TBS (2022). +**(Lysogorskiy2022)** Lysogorskiy, Bochkarev, Mrovec, Drautz, arXiv:2212.08716 (2022).