From 23ee2a97fa2907040cef8b8f5d266fec7f43d515 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Fri, 1 Jul 2022 11:24:50 -0600 Subject: [PATCH] Whitespace --- src/KOKKOS/meam_dens_init_kokkos.h | 2 +- src/KOKKOS/meam_funcs_kokkos.h | 6 +++--- src/KOKKOS/meam_kokkos.h | 8 ++++---- src/KOKKOS/pair_meam_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_meam_kokkos.h | 8 ++++---- 5 files changed, 16 insertions(+), 16 deletions(-) diff --git a/src/KOKKOS/meam_dens_init_kokkos.h b/src/KOKKOS/meam_dens_init_kokkos.h index bcf0e7433e..aa0be60cde 100644 --- a/src/KOKKOS/meam_dens_init_kokkos.h +++ b/src/KOKKOS/meam_dens_init_kokkos.h @@ -14,7 +14,7 @@ void MEAMKokkos::operator()(TagMEAMDensInit, const int &i ii = d_ilist_half[i]; offsetval = d_offset[i]; // compute screening function and derivatives - this->template getscreen(ii, offsetval, x, d_numneigh_half, + this->template getscreen(ii, offsetval, x, d_numneigh_half, d_numneigh_full, ntype, type, d_map); // calculate intermediate density terms to be communicated diff --git a/src/KOKKOS/meam_funcs_kokkos.h b/src/KOKKOS/meam_funcs_kokkos.h index f02def0676..0e58e85db1 100644 --- a/src/KOKKOS/meam_funcs_kokkos.h +++ b/src/KOKKOS/meam_funcs_kokkos.h @@ -29,9 +29,9 @@ using namespace MathSpecialKokkos; // 4 => G = sqrt(1+gamma) // -5 => G = +-sqrt(abs(1+gamma)) // -template +template KOKKOS_INLINE_FUNCTION -double MEAMKokkos::G_gam(const double gamma, const int ibar, int &errorflag) const +double MEAMKokkos::G_gam(const double gamma, const int ibar, int &errorflag) const { double gsmooth_switchpoint; @@ -74,7 +74,7 @@ double MEAMKokkos::G_gam(const double gamma, const int ibar, int &er // template KOKKOS_INLINE_FUNCTION -double MEAMKokkos::dG_gam(const double gamma, const int ibar, double& dG) const +double MEAMKokkos::dG_gam(const double gamma, const int ibar, double& dG) const { double gsmooth_switchpoint; double G; diff --git a/src/KOKKOS/meam_kokkos.h b/src/KOKKOS/meam_kokkos.h index fb34f45b5c..57002b032c 100644 --- a/src/KOKKOS/meam_kokkos.h +++ b/src/KOKKOS/meam_kokkos.h @@ -33,7 +33,7 @@ class MEAMKokkos : public MEAM template KOKKOS_INLINE_FUNCTION void operator()(TagMEAMDensInit, const int&) const; - + KOKKOS_INLINE_FUNCTION void operator()(TagMEAMZero, const int&) const; @@ -73,8 +73,8 @@ class MEAMKokkos : public MEAM int, int); void meam_dens_final(int, int, int, int, typename ArrayTypes::t_efloat_1d, int, typename AT::t_int_1d, typename AT::t_int_1d, typename AT::t_int_2d, int&, EV_FLOAT&); - void meam_force(int, int, int, int, int, typename ArrayTypes::t_efloat_1d, - int, typename AT::t_int_1d, typename AT::t_int_1d, typename AT::t_x_array, typename AT::t_int_1d, + void meam_force(int, int, int, int, int, typename ArrayTypes::t_efloat_1d, + int, typename AT::t_int_1d, typename AT::t_int_1d, typename AT::t_x_array, typename AT::t_int_1d, typename AT::t_int_1d, typename AT::t_f_array, typename ArrayTypes::t_virial_array, typename AT::t_int_1d, typename AT::t_int_1d, typename AT::t_neighbors_2d, typename AT::t_neighbors_2d, int, int, EV_FLOAT&); @@ -100,7 +100,7 @@ class MEAMKokkos : public MEAM KOKKOS_INLINE_FUNCTION double zbl(const double, const int, const int) const; KOKKOS_INLINE_FUNCTION - double embedding(const double, const double, const double, double&) const; + double embedding(const double, const double, const double, double&) const; KOKKOS_INLINE_FUNCTION double erose(const double, const double, const double, const double, const double, const double, const int) const; KOKKOS_INLINE_FUNCTION diff --git a/src/KOKKOS/pair_meam_kokkos.cpp b/src/KOKKOS/pair_meam_kokkos.cpp index 33343f4af5..1879422f60 100644 --- a/src/KOKKOS/pair_meam_kokkos.cpp +++ b/src/KOKKOS/pair_meam_kokkos.cpp @@ -135,7 +135,7 @@ void PairMEAMKokkos::compute(int eflag_in, int vflag_in) // loop over my atoms followed by communication int errorflag = 0; - + d_offset = typename AT::t_int_1d("pair:offset",inum_half+1); { // local variables for lambda capture @@ -352,7 +352,7 @@ void PairMEAMKokkos::operator()(TagPairMEAMPackForwardComm, const in v_buf[m++] = meam_inst_kk->d_tsq_ave(j,0); v_buf[m++] = meam_inst_kk->d_tsq_ave(j,1); v_buf[m++] = meam_inst_kk->d_tsq_ave(j,2); -} +} /* ---------------------------------------------------------------------- */ @@ -402,7 +402,7 @@ void PairMEAMKokkos::operator()(TagPairMEAMUnpackForwardComm, const meam_inst_kk->d_tsq_ave(i+first,2) = v_buf[m++]; } -/* ---------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- */ template int PairMEAMKokkos::pack_forward_comm(int n, int *list, double *buf, @@ -738,7 +738,7 @@ template KOKKOS_INLINE_FUNCTION void PairMEAMKokkos::operator()(TagPairMEAMOffsets, const int ii, int &n) const { const int i = d_ilist_half[ii]; - n += d_numneigh_half[i]; + n += d_numneigh_half[i]; } /* ---------------------------------------------------------------------- */ diff --git a/src/KOKKOS/pair_meam_kokkos.h b/src/KOKKOS/pair_meam_kokkos.h index c18c9151f2..fef4266b8a 100644 --- a/src/KOKKOS/pair_meam_kokkos.h +++ b/src/KOKKOS/pair_meam_kokkos.h @@ -92,15 +92,15 @@ class PairMEAMKokkos : public PairMEAM, public KokkosBase { typename AT::t_x_array x; typename AT::t_f_array f; typename AT::t_int_1d type; - + DAT::tdual_efloat_1d k_eatom; DAT::tdual_virial_array k_vatom; typename AT::t_efloat_1d d_eatom; typename AT::t_virial_array d_vatom; typename AT::t_int_1d d_offset; - - DAT::tdual_int_1d k_map; + + DAT::tdual_int_1d k_map; typename AT::t_int_1d d_map; typename AT::t_int_2d d_scale; typename AT::t_int_1d d_ilist_half; @@ -111,7 +111,7 @@ class PairMEAMKokkos : public PairMEAM, public KokkosBase { typename AT::t_int_2d d_sendlist; typename AT::t_xfloat_1d_um v_buf; - int iswap,first; + int iswap,first; int neighflag,nlocal,nall,eflag,vflag; friend void pair_virial_fdotr_compute(PairMEAMKokkos*);