From c421a445bda06f59d2bc11ec7ebf3caf50d97833 Mon Sep 17 00:00:00 2001 From: Stan Gerald Moore Date: Fri, 16 Dec 2022 15:18:57 -0700 Subject: [PATCH] Small cleanup, docs --- doc/src/Commands_fix.rst | 4 ++-- src/KOKKOS/fix_dt_reset_kokkos.cpp | 12 +++++++----- 2 files changed, 9 insertions(+), 7 deletions(-) diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst index ff6e402a2e..0d3f69602e 100644 --- a/doc/src/Commands_fix.rst +++ b/doc/src/Commands_fix.rst @@ -65,7 +65,7 @@ OPT. * :doc:`drude ` * :doc:`drude/transform/direct ` * :doc:`drude/transform/inverse ` - * :doc:`dt/reset ` + * :doc:`dt/reset (k) ` * :doc:`edpd/source ` * :doc:`efield ` * :doc:`ehex ` @@ -250,7 +250,7 @@ OPT. * :doc:`tune/kspace ` * :doc:`vector ` * :doc:`viscosity ` - * :doc:`viscous ` + * :doc:`viscous (k) ` * :doc:`viscous/sphere ` * :doc:`wall/body/polygon ` * :doc:`wall/body/polyhedron ` diff --git a/src/KOKKOS/fix_dt_reset_kokkos.cpp b/src/KOKKOS/fix_dt_reset_kokkos.cpp index 6ffa7fcf56..f3435e711e 100644 --- a/src/KOKKOS/fix_dt_reset_kokkos.cpp +++ b/src/KOKKOS/fix_dt_reset_kokkos.cpp @@ -118,6 +118,8 @@ void FixDtResetKokkos::end_of_step() } +/* ---------------------------------------------------------------------- */ + template KOKKOS_INLINE_FUNCTION void FixDtResetKokkos::operator()(TagFixDtResetMass, const int &i, double &k_dt) const { @@ -127,7 +129,7 @@ void FixDtResetKokkos::operator()(TagFixDtResetMass, const int &i, d double delx, dely, delz, delr; double emax = k_emax.d_view(0); - + if (mask[i] & groupbit) { massinv = 1.0 / mass[type[i]]; @@ -148,9 +150,10 @@ void FixDtResetKokkos::operator()(TagFixDtResetMass, const int &i, d delr = sqrt(delx * delx + dely * dely + delz * delz); if (delr > xmax) k_dt *= xmax / delr; } - } +/* ---------------------------------------------------------------------- */ + template KOKKOS_INLINE_FUNCTION void FixDtResetKokkos::operator()(TagFixDtResetRMass, const int &i, double &k_dt) const { @@ -160,7 +163,7 @@ void FixDtResetKokkos::operator()(TagFixDtResetRMass, const int &i, double delx, dely, delz, delr; double emax = k_emax.d_view(0); - + if (mask[i] & groupbit) { massinv = 1.0 / rmass[i]; @@ -181,8 +184,7 @@ void FixDtResetKokkos::operator()(TagFixDtResetRMass, const int &i, delr = sqrt(delx * delx + dely * dely + delz * delz); if (delr > xmax) k_dt *= xmax / delr; } - - } +} namespace LAMMPS_NS { template class FixDtResetKokkos;