♻️ further refactoring step fixing
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7f068a6959
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@ -91,14 +91,14 @@ __global__ void calc_force(
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atom_fz(i) = fiz;
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atom_fz(i) = fiz;
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}
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}
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__global__ void kernel_initial_integrate(MD_FLOAT dtforce, MD_FLOAT dt, int Nlocal, Atom a) {
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__global__ void kernel_initial_integrate(MD_FLOAT dtforce, MD_FLOAT dt, int Nlocal, Atom *a) {
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const int i = blockIdx.x * blockDim.x + threadIdx.x;
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const int i = blockIdx.x * blockDim.x + threadIdx.x;
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if( i >= Nlocal ) {
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if( i >= Nlocal ) {
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return;
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return;
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}
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}
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Atom *atom = &a;
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Atom *atom = a;
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atom_vx(i) += dtforce * atom_fx(i);
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atom_vx(i) += dtforce * atom_fx(i);
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atom_vy(i) += dtforce * atom_fy(i);
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atom_vy(i) += dtforce * atom_fy(i);
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@ -108,14 +108,14 @@ __global__ void kernel_initial_integrate(MD_FLOAT dtforce, MD_FLOAT dt, int Nloc
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atom_z(i) = atom_z(i) + dt * atom_vz(i);
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atom_z(i) = atom_z(i) + dt * atom_vz(i);
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}
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}
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__global__ void kernel_final_integrate(MD_FLOAT dtforce, int Nlocal, Atom a) {
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__global__ void kernel_final_integrate(MD_FLOAT dtforce, int Nlocal, Atom *a) {
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const int i = blockIdx.x * blockDim.x + threadIdx.x;
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const int i = blockIdx.x * blockDim.x + threadIdx.x;
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if( i >= Nlocal ) {
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if( i >= Nlocal ) {
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return;
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return;
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}
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}
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Atom *atom = &a;
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Atom *atom = a;
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atom_vx(i) += dtforce * atom_fx(i);
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atom_vx(i) += dtforce * atom_fx(i);
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atom_vy(i) += dtforce * atom_fy(i);
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atom_vy(i) += dtforce * atom_fy(i);
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