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Move pair potentials and change to traditional Functor

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This commit is contained in:
Alex Selimov 2025-09-10 22:03:11 -04:00
parent a638c4f388
commit 2d948a7e76
Signed by: aselimov
GPG key ID: 3DDB9C3E023F1F31
5 changed files with 122 additions and 94 deletions
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3
tests/cuda_unit_tests/test_potential.cu
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@ -1,4 +1,4 @@
#include "pair_potentials.cuh"
#include "potentials/pair_potentials.cuh"
#include "precision.hpp"
#include "gtest/gtest.h"
#include <cmath>
@ -69,6 +69,7 @@ __global__ void lennard_jones_test_kernel(TestResults *results) {
auto result = lj.calc_force_and_energy(r);
results->energy_values[2] = result.energy;
results->force_values[2] = result.force;
results->at_minimum_pass =
(fabs(result.energy + epsilon) < tolerance) &&
vec3_near(Vec3<real>{0.0, 0.0, 0.0}, result.force, tolerance);