Turn t_forcerec.shift_vec into an std::vector of gmx::RVec

[alexxy/gromacs.git] / src / gromacs / nbnxm / kernels_simd_2xmm / kernel_prune.h

diff --git a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
index ce2b8780301852a1b6bf08c7d57c40d6d294c9da..9abafd8b21dba8d1d15d8d6e0a5f6b5786b41104 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
+++ b/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
@@ -1,7 +1,8 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2016,2017,2019, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016 by the GROMACS development team.
+ * Copyright (c) 2017,2018,2019,2020,2021, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -49,12 +50,18 @@
 struct nbnxn_atomdata_t;
 struct NbnxnPairlistCpu;
 
+namespace gmx
+{
+template<typename>
+class ArrayRef;
+}
+
 /*! \brief Prune a single NbnxnPairlistCpu entry with distance \p rlistInner
  *
  * Reads a cluster pairlist \p nbl->ciOuter, \p nbl->cjOuter and writes
  * all cluster pairs within \p rlistInner to \p nbl->ci, \p nbl->cj.
  */
-void nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*       nbl,
-                             const nbnxn_atomdata_t* nbat,
-                             const rvec* gmx_restrict shift_vec,
-                             real                     rlistInner);
+void nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*              nbl,
+                             const nbnxn_atomdata_t*        nbat,
+                             gmx::ArrayRef<const gmx::RVec> shift_vec,
+                             real                           rlistInner);