silence a few more compiler warnings and remove dead code (1939a9e6) · Commits · 郑智淋 / lammps

src/KOKKOS/compute_orientorder_atom_kokkos.cpp

+0 −2

Original line number	Diff line number	Diff line
		@@ -437,8 +437,6 @@ template<class DeviceType>
		KOKKOS_INLINE_FUNCTION
		void ComputeOrientOrderAtomKokkos<DeviceType>::calc_boop1(int /ncount/, int ii, int ineigh) const
		{
		const int i = d_ilist[ii + chunk_offset];

		const double r0 = d_rlist(ii,ineigh,0);
		const double r1 = d_rlist(ii,ineigh,1);
		const double r2 = d_rlist(ii,ineigh,2);

src/KOKKOS/pair_coul_debye_kokkos.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -164,7 +164,7 @@ template<class DeviceType>
		template<bool STACKPARAMS, class Specialisation>
		KOKKOS_INLINE_FUNCTION
		F_FLOAT PairCoulDebyeKokkos<DeviceType>::
		compute_fcoul(const F_FLOAT& rsq, const int& i, const int&j,
		compute_fcoul(const F_FLOAT& rsq, const int& /i/, const int&j,
		const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

		const F_FLOAT r2inv = 1.0/rsq;
		@@ -187,7 +187,7 @@ template<class DeviceType>
		template<bool STACKPARAMS, class Specialisation>
		KOKKOS_INLINE_FUNCTION
		F_FLOAT PairCoulDebyeKokkos<DeviceType>::
		compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,
		compute_ecoul(const F_FLOAT& rsq, const int& /i/, const int&j,
		const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {

		const F_FLOAT r2inv = 1.0/rsq;

src/KOKKOS/pair_reaxc_kokkos.cpp

+0 −19

Original line number	Diff line number	Diff line
		@@ -1823,7 +1823,6 @@ template<class DeviceType>
		KOKKOS_INLINE_FUNCTION
		void PairReaxCKokkos<DeviceType>::operator()(PairReaxBondOrder2, const int &ii) const {

		F_FLOAT delij[3];
		F_FLOAT exp_p1i, exp_p2i, exp_p1j, exp_p2j, f1, f2, f3, u1_ij, u1_ji, Cf1A_ij, Cf1B_ij, Cf1_ij, Cf1_ji;
		F_FLOAT f4, f5, exp_f4, exp_f5, f4f5, Cf45_ij, Cf45_ji;
		F_FLOAT A0_ij, A1_ij, A2_ij, A3_ij, A2_ji, A3_ji;
		@@ -1833,10 +1832,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxBondOrder2, const int &ii)
		const int j_start = d_bo_first[i];
		const int j_end = j_start + d_bo_num[i];

		const X_FLOAT xtmp = x(i,0);
		const X_FLOAT ytmp = x(i,1);
		const X_FLOAT ztmp = x(i,2);

		const F_FLOAT val_i = paramssing(itype).valency;

		d_total_bo[i] = 0.0;
		@@ -1845,10 +1840,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxBondOrder2, const int &ii)
		for (int jj = j_start; jj < j_end; jj++) {
		int j = d_bo_list[jj];
		j &= NEIGHMASK;
		delij[0] = x(j,0) - xtmp;
		delij[1] = x(j,1) - ytmp;
		delij[2] = x(j,2) - ztmp;
		const F_FLOAT rsq = delij[0]delij[0] + delij[1]delij[1] + delij[2]*delij[2];
		const int jtype = type(j);
		const int j_index = jj - j_start;
		const int i_index = maxbo+j_index;
		@@ -3080,7 +3071,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxComputeBond1<NEIGHFLAG,EVFL
		auto v_CdDelta = ScatterViewHelper<NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_CdDelta),decltype(ndup_CdDelta)>::get(dup_CdDelta,ndup_CdDelta);
		auto a_CdDelta = v_CdDelta.template access<AtomicDup<NEIGHFLAG,DeviceType>::value>();

		F_FLOAT delij[3];
		F_FLOAT p_be1, p_be2, De_s, De_p, De_pp, pow_BOs_be2, exp_be12, CEbo, ebond;

		const int i = d_ilist[ii];
		@@ -3114,12 +3104,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxComputeBond1<NEIGHFLAG,EVFL
		const int j_index = jj - j_start;
		const F_FLOAT jmass = paramssing(jtype).mass;

		delij[0] = x(j,0) - xtmp;
		delij[1] = x(j,1) - ytmp;
		delij[2] = x(j,2) - ztmp;

		const F_FLOAT rsq = delij[0]delij[0] + delij[1]delij[1] + delij[2]*delij[2];

		// bond energy (nlocal only)
		p_be1 = paramstwbp(itype,jtype).p_be1;
		p_be2 = paramstwbp(itype,jtype).p_be2;
		@@ -3210,7 +3194,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxComputeBond2<NEIGHFLAG,EVFL
		const X_FLOAT xtmp = x(i,0);
		const X_FLOAT ytmp = x(i,1);
		const X_FLOAT ztmp = x(i,2);
		const int itype = type(i);
		const tagint itag = tag(i);
		const int j_start = d_bo_first[i];
		const int j_end = j_start + d_bo_num[i];
		@@ -3234,7 +3217,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxComputeBond2<NEIGHFLAG,EVFL
		if (x(j,2) == ztmp && x(j,1) == ytmp && x(j,0) < xtmp) continue;
		}

		const int jtype = type(j);
		const int j_index = jj - j_start;
		F_FLOAT CdDelta_j = d_CdDelta[j];

		@@ -3242,7 +3224,6 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxComputeBond2<NEIGHFLAG,EVFL
		delij[1] = x(j,1) - ytmp;
		delij[2] = x(j,2) - ztmp;

		const F_FLOAT rsq = delij[0]delij[0] + delij[1]delij[1] + delij[2]*delij[2];
		const int k_start = d_bo_first[j];
		const int k_end = k_start + d_bo_num[j];

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