whitespace fixes
This commit is contained in:
@ -56,7 +56,7 @@ AtomVecSpinKokkos::AtomVecSpinKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
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xcol_data = 4;
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xcol_data = 4;
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atom->sp_flag = 1;
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atom->sp_flag = 1;
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k_count = DAT::tdual_int_1d("atom::k_count",1);
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k_count = DAT::tdual_int_1d("atom::k_count",1);
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atomKK = (AtomKokkos *) atom;
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atomKK = (AtomKokkos *) atom;
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commKK = (CommKokkos *) comm;
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commKK = (CommKokkos *) comm;
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@ -84,13 +84,13 @@ void AtomVecSpinKokkos::grow(int n)
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memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
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memoryKK->grow_kokkos(atomKK->k_type,atomKK->type,nmax,"atom:type");
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memoryKK->grow_kokkos(atomKK->k_mask,atomKK->mask,nmax,"atom:mask");
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memoryKK->grow_kokkos(atomKK->k_mask,atomKK->mask,nmax,"atom:mask");
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memoryKK->grow_kokkos(atomKK->k_image,atomKK->image,nmax,"atom:image");
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memoryKK->grow_kokkos(atomKK->k_image,atomKK->image,nmax,"atom:image");
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// allocating mech. quantities
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// allocating mech. quantities
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memoryKK->grow_kokkos(atomKK->k_x,atomKK->x,nmax,"atom:x");
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memoryKK->grow_kokkos(atomKK->k_x,atomKK->x,nmax,"atom:x");
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memoryKK->grow_kokkos(atomKK->k_v,atomKK->v,nmax,"atom:v");
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memoryKK->grow_kokkos(atomKK->k_v,atomKK->v,nmax,"atom:v");
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memoryKK->grow_kokkos(atomKK->k_f,atomKK->f,nmax,"atom:f");
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memoryKK->grow_kokkos(atomKK->k_f,atomKK->f,nmax,"atom:f");
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// allocating mag. quantities
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// allocating mag. quantities
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memoryKK->grow_kokkos(atomKK->k_sp,atomKK->sp,nmax,"atom:sp");
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memoryKK->grow_kokkos(atomKK->k_sp,atomKK->sp,nmax,"atom:sp");
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@ -134,11 +134,11 @@ void AtomVecSpinKokkos::grow_pointers()
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f = atomKK->f;
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f = atomKK->f;
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d_f = atomKK->k_f.d_view;
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d_f = atomKK->k_f.d_view;
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h_f = atomKK->k_f.h_view;
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h_f = atomKK->k_f.h_view;
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sp = atomKK->sp;
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sp = atomKK->sp;
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d_sp = atomKK->k_sp.d_view;
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d_sp = atomKK->k_sp.d_view;
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h_sp = atomKK->k_sp.h_view;
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h_sp = atomKK->k_sp.h_view;
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fm = atomKK->fm;
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fm = atomKK->fm;
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d_fm = atomKK->k_fm.d_view;
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d_fm = atomKK->k_fm.d_view;
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h_fm = atomKK->k_fm.h_view;
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h_fm = atomKK->k_fm.h_view;
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fm_long = atomKK->fm_long;
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fm_long = atomKK->fm_long;
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@ -163,7 +163,7 @@ void AtomVecSpinKokkos::copy(int i, int j, int delflag)
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h_v(j,1) = h_v(i,1);
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h_v(j,1) = h_v(i,1);
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h_v(j,2) = h_v(i,2);
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h_v(j,2) = h_v(i,2);
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h_sp(j,0) = h_sp(i,0);
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h_sp(j,0) = h_sp(i,0);
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h_sp(j,1) = h_sp(i,1);
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h_sp(j,1) = h_sp(i,1);
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h_sp(j,2) = h_sp(i,2);
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h_sp(j,2) = h_sp(i,2);
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h_sp(j,3) = h_sp(i,3);
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h_sp(j,3) = h_sp(i,3);
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@ -186,7 +186,7 @@ struct AtomVecSpinKokkos_PackComm {
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const int _iswap;
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const int _iswap;
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X_FLOAT _xprd,_yprd,_zprd,_xy,_xz,_yz;
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X_FLOAT _xprd,_yprd,_zprd,_xy,_xz,_yz;
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X_FLOAT _pbc[6];
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X_FLOAT _pbc[6];
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AtomVecSpinKokkos_PackComm(
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AtomVecSpinKokkos_PackComm(
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const typename DAT::tdual_x_array &x,
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const typename DAT::tdual_x_array &x,
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const typename DAT::tdual_float_1d_4 &sp,
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const typename DAT::tdual_float_1d_4 &sp,
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@ -268,7 +268,7 @@ struct AtomVecSpinKokkos_PackBorder {
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_buf(buf),_list(list),_iswap(iswap),
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_buf(buf),_list(list),_iswap(iswap),
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_x(x),_tag(tag),_type(type),_mask(mask),_sp(sp),
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_x(x),_tag(tag),_type(type),_mask(mask),_sp(sp),
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_dx(dx),_dy(dy),_dz(dz) {}
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_dx(dx),_dy(dy),_dz(dz) {}
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KOKKOS_INLINE_FUNCTION
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KOKKOS_INLINE_FUNCTION
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void operator() (const int& i) const {
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void operator() (const int& i) const {
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const int j = _list(_iswap,i);
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const int j = _list(_iswap,i);
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@ -741,9 +741,9 @@ struct AtomVecSpinKokkos_PackExchangeFunctor {
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}
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}
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}
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}
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};
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};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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int AtomVecSpinKokkos::pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &k_buf,
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int AtomVecSpinKokkos::pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &k_buf,
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DAT::tdual_int_1d k_sendlist,
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DAT::tdual_int_1d k_sendlist,
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DAT::tdual_int_1d k_copylist,
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DAT::tdual_int_1d k_copylist,
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@ -768,7 +768,7 @@ int AtomVecSpinKokkos::pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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int AtomVecSpinKokkos::pack_exchange(int i, double *buf)
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int AtomVecSpinKokkos::pack_exchange(int i, double *buf)
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{
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{
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int m = 1;
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int m = 1;
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@ -51,7 +51,7 @@ class AtomVecSpinKokkos : public AtomVecKokkos {
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void write_data(FILE *, int, double **);
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void write_data(FILE *, int, double **);
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int write_data_hybrid(FILE *, double *);
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int write_data_hybrid(FILE *, double *);
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double memory_usage();
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double memory_usage();
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// clear magnetic and mechanic forces
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// clear magnetic and mechanic forces
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void force_clear(int, size_t);
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void force_clear(int, size_t);
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@ -594,7 +594,7 @@ void VerletKokkos::force_clear()
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Kokkos::parallel_for(nall, Zero<typename ArrayTypes<LMPDeviceType>::t_f_array>(atomKK->k_torque.view<LMPDeviceType>()));
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Kokkos::parallel_for(nall, Zero<typename ArrayTypes<LMPDeviceType>::t_f_array>(atomKK->k_torque.view<LMPDeviceType>()));
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atomKK->modified(Device,TORQUE_MASK);
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atomKK->modified(Device,TORQUE_MASK);
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}
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}
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// reset SPIN forces
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// reset SPIN forces
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if (extraflag) {
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if (extraflag) {
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@ -616,7 +616,7 @@ void VerletKokkos::force_clear()
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Kokkos::parallel_for(atomKK->nfirst, Zero<typename ArrayTypes<LMPDeviceType>::t_f_array>(atomKK->k_torque.view<LMPDeviceType>()));
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Kokkos::parallel_for(atomKK->nfirst, Zero<typename ArrayTypes<LMPDeviceType>::t_f_array>(atomKK->k_torque.view<LMPDeviceType>()));
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atomKK->modified(Device,TORQUE_MASK);
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atomKK->modified(Device,TORQUE_MASK);
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}
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}
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// reset SPIN forces
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// reset SPIN forces
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if (extraflag) {
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if (extraflag) {
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@ -635,7 +635,7 @@ void VerletKokkos::force_clear()
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Kokkos::parallel_for(range, Zero<typename ArrayTypes<LMPDeviceType>::t_f_array>(atomKK->k_torque.view<LMPDeviceType>()));
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Kokkos::parallel_for(range, Zero<typename ArrayTypes<LMPDeviceType>::t_f_array>(atomKK->k_torque.view<LMPDeviceType>()));
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atomKK->modified(Device,TORQUE_MASK);
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atomKK->modified(Device,TORQUE_MASK);
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}
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}
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// reset SPIN forces
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// reset SPIN forces
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if (extraflag) {
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if (extraflag) {
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@ -524,7 +524,7 @@ void FixNVESpin::sectoring()
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sublo[dim]=sublotmp[dim];
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sublo[dim]=sublotmp[dim];
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subhi[dim]=subhitmp[dim];
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subhi[dim]=subhitmp[dim];
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}
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}
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}
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}
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const double rsx = subhi[0] - sublo[0];
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const double rsx = subhi[0] - sublo[0];
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const double rsy = subhi[1] - sublo[1];
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const double rsy = subhi[1] - sublo[1];
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