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Add newton's third law
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Alex Selimov 2025-09-13 20:29:05 -04:00
parent 8ba5714648
commit c4757df1be
Signed by: aselimov
GPG key ID: 3DDB9C3E023F1F31
1 changed files with 10 additions and 2 deletions
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12
kernels/forces.cuh
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@ -30,7 +30,7 @@ __global__ void calc_forces_and_energies(float4 *pos, float4 *force_energies,
real total_fx = 0, total_fy = 0, total_fz = 0, total_energy = 0; real total_fx = 0, total_fy = 0, total_fz = 0, total_energy = 0;
for (int j = 0; j < n_particles; j++) { for (int j = 0; j < n_particles; j++) {
if (i != j) { if (i < j) {
float4 other_pos = pos[j]; float4 other_pos = pos[j];
real dx = xi - other_pos.x; real dx = xi - other_pos.x;
real dy = yi - other_pos.y; real dy = yi - other_pos.y;
@ -46,10 +46,18 @@ __global__ void calc_forces_and_energies(float4 *pos, float4 *force_energies,
total_fy += sol.y; total_fy += sol.y;
total_fz += sol.z; total_fz += sol.z;
total_energy += sol.w; total_energy += sol.w;
atomicAdd(&force_energies[j].x, -sol.x);
atomicAdd(&force_energies[j].y, -sol.y);
atomicAdd(&force_energies[j].z, -sol.z);
atomicAdd(&force_energies[j].w, sol.w);
} }
} }
force_energies[i] = make_float4(total_fx, total_fy, total_fz, total_energy); atomicAdd(&force_energies[i].x, total_fx);
atomicAdd(&force_energies[i].y, total_fy);
atomicAdd(&force_energies[i].z, total_fz);
atomicAdd(&force_energies[i].w, total_energy);
} }
} }
inline void launch_force_kernels(float4 *xs, float4 *force_energies, inline void launch_force_kernels(float4 *xs, float4 *force_energies,