consistent formatting: adjust cases of "dangling else", add curly braces (991ca25d) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_langevin_kokkos.cpp

+32 −64

Original line number	Diff line number	Diff line
		@@ -195,8 +195,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else{
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -204,8 +203,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -214,8 +212,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -223,8 +220,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else{
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,1,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -234,8 +230,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -243,8 +238,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -253,8 +247,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -262,8 +255,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,1,0,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -274,8 +266,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -283,8 +274,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -293,8 +283,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -302,8 +291,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,1,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -313,8 +301,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -322,8 +309,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -332,8 +318,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -341,8 +326,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,1,0,0,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -354,8 +338,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -363,8 +346,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -373,8 +355,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -382,8 +363,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,1,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -393,8 +373,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -402,8 +381,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -412,8 +390,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -421,8 +398,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,1,0,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -433,8 +409,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -442,8 +417,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -452,8 +426,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -461,8 +434,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,1,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -472,8 +444,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,1,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,1,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -481,8 +452,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,1,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,1,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -491,8 +461,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,0,1,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,0,1,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}
		@@ -500,8 +469,7 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
		if (zeroflag) {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,0,0,1> post_functor(this);
		Kokkos::parallel_reduce(nlocal,post_functor,s_fsum);
		}
		else {
		} else {
		FixLangevinKokkosPostForceFunctor<DeviceType,0,0,0,0,0,0> post_functor(this);
		Kokkos::parallel_for(nlocal,post_functor);
		}

src/KOKKOS/pair_reaxc_kokkos.cpp

+2 −4

Original line number	Diff line number	Diff line
		@@ -530,9 +530,7 @@ int PairReaxCKokkos<DeviceType>::Init_Lookup_Tables()
		Natural_Cubic_Spline( &h[1], &fCEclmb[1],
		&(LR[i][j].CEclmb[1]), control->tabulate+1,
		world );
		}// else{
		// LR[i][j].n = 0;
		//}//
		}
		}
		free(h);
		free(fh);

src/USER-AWPMD/pair_awpmd_cut.cpp

+7 −9

Original line number	Diff line number	Diff line
		@@ -279,8 +279,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
		f[i][0]=fi[ion][0];
		f[i][0]=fi[ion][1];
		f[i][0]=fi[ion][2];
		}
		else { // electron
		} else { // electron
		int iel=gmap[i];
		int s=spin[i] >0 ? 0 : 1;
		wpmd->get_wp_force(s,iel,(Vector_3 )f[i],(Vector_3 )(atom->vforce+3i),atom->erforce+i,atom->ervelforce+i,(Vector_2 )(atom->csforce+2*i));
		@@ -308,8 +307,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
		continue;
		if (spin[i]==0) {
		eatom[i]=wpmd->Eiep[gmap[i]]+wpmd->Eiip[gmap[i]];
		}
		else {
		} else {
		int s=spin[i] >0 ? 0 : 1;
		eatom[i]=wpmd->Eep[s][gmap[i]]+wpmd->Eeip[s][gmap[i]]+wpmd->Eeep[s][gmap[i]]+wpmd->Ewp[s][gmap[i]];
		}
		@@ -474,9 +472,9 @@ void PairAWPMDCut::coeff(int narg, char **arg)
		if(cut_global<0)
		cut_global=half_box_length;

		if (!allocated)
		if (!allocated) {
		allocate();
		else{
		} else {
		int i,j;
		for (i = 1; i <= atom->ntypes; i++)
		for (j = i; j <= atom->ntypes; j++)

src/USER-LB/fix_lb_fluid.cpp

+15 −22

Original line number	Diff line number	Diff line
		@@ -1017,9 +1017,9 @@ void FixLbFluid::peskin_interpolation(int i)
		for(ii=-1; ii<3; ii++){
		rsq=(-dx1+ii)*(-dx1+ii);

		if(rsq>=4)
		if(rsq>=4) {
		weightx=0.0;
		else{
		} else {
		r=sqrt(rsq);
		if(rsq>1){
		weightx=(5.0-2.0r-sqrt(-7.0+12.0r-4.0*rsq))/8.;
		@@ -1029,9 +1029,9 @@ void FixLbFluid::peskin_interpolation(int i)
		}
		for(jj=-1; jj<3; jj++){
		rsq=(-dy1+jj)*(-dy1+jj);
		if(rsq>=4)
		if(rsq>=4) {
		weighty=0.0;
		else{
		} else {
		r=sqrt(rsq);
		if(rsq>1){
		weighty=(5.0-2.0r-sqrt(-7.0+12.0r-4.0*rsq))/8.;
		@@ -1041,9 +1041,9 @@ void FixLbFluid::peskin_interpolation(int i)
		}
		for(kk=-1; kk<3; kk++){
		rsq=(-dz1+kk)*(-dz1+kk);
		if(rsq>=4)
		if(rsq>=4) {
		weightz=0.0;
		else{
		} else {
		r=sqrt(rsq);
		if(rsq>1){
		weightz=(5.0-2.0r-sqrt(-7.0+12.0r-4.0*rsq))/8.;
		@@ -1090,8 +1090,7 @@ require more frequent neighborlist rebuilds");
		massone = massone/dm_lb;

		gammavalue = 2.0(mnodemassone)*dtoverdtcollision/(mnode+massone);
		}
		else{
		} else {
		gammavalue = Gamma[type[i]];
		}

		@@ -2836,8 +2835,7 @@ void FixLbFluid::update_full15(void)
		}
		}
		}
		}
		else{
		} else {
		update_periodic(1,subNbx-1,1,subNby-1,subNbz-2,subNbz-1);
		}
		}
		@@ -2866,8 +2864,7 @@ void FixLbFluid::update_full15(void)
		if(typeLB == 1){
		fnew[i][j][k][5]=fnew[i][j][k-1][6];
		tmp1=fnew[i][j][k-1][11]+fnew[i][j][k-1][12]+fnew[i][j][k-1][13]+fnew[i][j][k-1][14];
		}
		else{
		} else {
		fnew[i][j][k][5]=fnew[i][j][k-1][6] + (0.5-Dcoeff(tau+0.5))feqn[i][j][k+1][5];
		tmp1=fnew[i][j][k-1][11]+fnew[i][j][k-1][12]+fnew[i][j][k-1][13]+fnew[i][j][k-1][14] +
		(0.5-Dcoeff(tau+0.5))(feqn[i-1][j-1][k+1][7] + feqn[i+1][j-1][k+1][8] +
		@@ -2908,8 +2905,7 @@ void FixLbFluid::update_full15(void)
		if(typeLB == 1){
		fnew[i][j][k][6]=fnew[i][j][k+1][5];
		tmp1=fnew[i][j][k+1][7]+fnew[i][j][k+1][8]+fnew[i][j][k+1][9]+fnew[i][j][k+1][10];
		}
		else{
		} else {
		fnew[i][j][k][6]=fnew[i][j][k+1][5] + (0.5-Dcoeff(tau+0.5))feqn[i][j][k-1][6];
		tmp1=fnew[i][j][k+1][7]+fnew[i][j][k+1][8]+fnew[i][j][k+1][9]+fnew[i][j][k+1][10] +
		(0.5-Dcoeff(tau+0.5))(feqn[i-1][j-1][k-1][11] + feqn[i+1][j-1][k-1][12] +
		@@ -3193,8 +3189,7 @@ void FixLbFluid::update_full19(void)
		}
		}
		}
		}
		else{
		} else {
		update_periodic(1,subNbx-1,1,subNby-1,subNbz-2,subNbz-1);
		}
		}
		@@ -3224,8 +3219,7 @@ void FixLbFluid::update_full19(void)
		if(typeLB == 1){
		fnew[i][j][k][5]=fnew[i][j][k-1][6];
		tmp1=fnew[i][j][k-1][12]+fnew[i][j][k-1][14]+fnew[i][j][k-1][16]+fnew[i][j][k-1][18];
		}
		else{
		} else {
		fnew[i][j][k][5]=fnew[i][j][k-1][6] + (0.5-Dcoeff(tau+0.5))feqn[i][j][k+1][5];
		tmp1=fnew[i][j][k-1][12]+fnew[i][j][k-1][14]+fnew[i][j][k-1][16]+fnew[i][j][k-1][18] +
		(0.5-Dcoeff(tau+0.5))(feqn[i-1][j][k+1][11] + feqn[i+1][j][k+1][13] +
		@@ -3261,8 +3255,7 @@ void FixLbFluid::update_full19(void)
		if(typeLB == 1){
		fnew[i][j][k][6]=fnew[i][j][k+1][5];
		tmp1=fnew[i][j][k+1][11]+fnew[i][j][k+1][13]+fnew[i][j][k+1][15]+fnew[i][j][k+1][17];
		}
		else{
		} else {
		fnew[i][j][k][6]=fnew[i][j][k+1][5] + (0.5-Dcoeff(tau+0.5))feqn[i][j][k-1][6];
		tmp1=fnew[i][j][k+1][11]+fnew[i][j][k+1][13]+fnew[i][j][k+1][15]+fnew[i][j][k+1][17] +
		(0.5-Dcoeff(tau+0.5))(feqn[i-1][j][k-1][12] + feqn[i+1][j][k-1][14] +

src/USER-LB/fix_lb_pc.cpp

+6 −6

Original line number	Diff line number	Diff line
		@@ -387,9 +387,9 @@ int FixLbPC::unpack_exchange(int nlocal, double *buf)
		for(ii=-1; ii<3; ii++){
		rsq=(-dx1+ii)*(-dx1+ii);

		if(rsq>=4)
		if(rsq>=4) {
		weightx=0.0;
		else{
		} else {
		r=sqrt(rsq);
		if(rsq>1){
		weightx=(5.0-2.0r-sqrt(-7.0+12.0r-4.0*rsq))/8.;
		@@ -399,9 +399,9 @@ int FixLbPC::unpack_exchange(int nlocal, double *buf)
		}
		for(jj=-1; jj<3; jj++){
		rsq=(-dy1+jj)*(-dy1+jj);
		if(rsq>=4)
		if(rsq>=4) {
		weighty=0.0;
		else{
		} else {
		r=sqrt(rsq);
		if(rsq>1){
		weighty=(5.0-2.0r-sqrt(-7.0+12.0r-4.0*rsq))/8.;
		@@ -411,9 +411,9 @@ int FixLbPC::unpack_exchange(int nlocal, double *buf)
		}
		for(kk=-1; kk<3; kk++){
		rsq=(-dz1+kk)*(-dz1+kk);
		if(rsq>=4)
		if(rsq>=4) {
		weightz=0.0;
		else{
		} else {
		r=sqrt(rsq);
		if(rsq>1){
		weightz=(5.0-2.0r-sqrt(-7.0+12.0r-4.0*rsq))/8.;

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