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