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Fix missing summation for energy

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Alex Selimov 2025-09-10 06:10:36 -04:00
parent 7f04ae793a
commit a638c4f388
Signed by: aselimov
GPG key ID: 3DDB9C3E023F1F31
2 changed files with 114 additions and 192 deletions
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kernels/forces.cu
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@ -29,7 +29,7 @@ __global__ void CAC::calc_forces_and_energies(real *xs, real *forces,
forces[3 * i] += sol.force.x;
forces[3 * i + 1] += sol.force.y;
forces[3 * i + 2] += sol.force.z;
energies[i] = sol.energy;
energies[i] += sol.energy;
}
}
}