pppm_kokkos: remove unused variables (b5d622c6) · Commits · 郑智淋 / lammps

src/KOKKOS/pppm_kokkos.cpp

+3 −21

Original line number	Diff line number	Diff line
		@@ -374,7 +374,6 @@ void PPPMKokkos<DeviceType>::setup()
		error->all(FLERR,"Incorrect boundaries with slab PPPM");
		}

		int i,j,k,n;
		double *prd;

		// volume-dependent factors
		@@ -417,10 +416,6 @@ void PPPMKokkos<DeviceType>::setup()
		DeviceType::fence();
		copymode = 0;

		// virial coefficients

		double sqk,vterm;

		// merge three outer loops into one for better threading

		numz_fft = nzhi_fft-nzlo_fft + 1;
		@@ -615,7 +610,7 @@ void PPPMKokkos<DeviceType>::setup_grid()
		template<class DeviceType>
		void PPPMKokkos<DeviceType>::compute(int eflag, int vflag)
		{
		int i,j;
		int i;

		// set energy/virial flags
		// invoke allocate_peratom() if needed for first time
		@@ -977,7 +972,6 @@ void PPPMKokkos<DeviceType>::set_grid_global()
		// fluid-occupied volume used to estimate real-space error
		// zprd used rather than zprd_slab

		double h;
		bigint natoms = atomKK->natoms;

		if (!gewaldflag) {
		@@ -1639,9 +1633,6 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_particle_map, const int &i) cons
		template<class DeviceType>
		void PPPMKokkos<DeviceType>::make_rho()
		{
		int l,m,n,nx,ny,nz,mx,my,mz;
		FFT_SCALAR dx,dy,dz,x0,y0,z0;

		// clear 3d density array

		//memset(&(density_brick(nzlo_out,nylo_out,nxlo_out)),0,
		@@ -1848,8 +1839,7 @@ void PPPMKokkos<DeviceType>::poisson()
		template<class DeviceType>
		void PPPMKokkos<DeviceType>::poisson_ik()
		{
		int i,j,k,n;
		double eng;
		int j;

		// transform charge density (r -> k)

		@@ -1880,7 +1870,6 @@ void PPPMKokkos<DeviceType>::poisson_ik()
		for (j = 0; j < 6; j++) virial[j] += ev.v[j];
		energy += ev.ecoul;
		} else {
		n = 0;
		copymode = 1;
		Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagPPPM_poisson_ik3>(0,nfft),*this,ev);
		DeviceType::fence();
		@@ -2217,8 +2206,6 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_poisson_ik_triclinic6, const int
		template<class DeviceType>
		void PPPMKokkos<DeviceType>::poisson_peratom()
		{
		int i,j,k,n;

		// merge three outer loops into one for better threading

		numz_inout = (nzhi_in-nzlo_out)-(nzlo_in-nzlo_out) + 1;
		@@ -2570,22 +2557,17 @@ KOKKOS_INLINE_FUNCTION
		void PPPMKokkos<DeviceType>::operator()(TagPPPM_fieldforce_ik, const int &i) const
		{
		int l,m,n,nx,ny,nz,mx,my,mz;
		FFT_SCALAR dx,dy,dz,x0,y0,z0;
		FFT_SCALAR x0,y0,z0;
		FFT_SCALAR ekx,eky,ekz;

		nx = d_part2grid(i,0);
		ny = d_part2grid(i,1);
		nz = d_part2grid(i,2);
		dx = nx+shiftone - (x(i,0)-boxlo[0])*delxinv;
		dy = ny+shiftone - (x(i,1)-boxlo[1])*delyinv;
		dz = nz+shiftone - (x(i,2)-boxlo[2])*delzinv;

		nz -= nzlo_out;
		ny -= nylo_out;
		nx -= nxlo_out;

		//compute_rho1d(i,dx,dy,dz); // hasn't changed from make_rho

		ekx = eky = ekz = ZEROF;
		for (n = nlower; n <= nupper; n++) {
		mz = n+nz;

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