diff --git a/test/energy_naive.jl b/test/energy_naive.jl index ac9c7d9..2d4dd20 100644 --- a/test/energy_naive.jl +++ b/test/energy_naive.jl @@ -1,4 +1,7 @@ @testset "test energy naive" begin + + @info "testing the energy naive" + n_atoms = 100 L = 100.0 boundary = ExTinyMD.Q2dBoundary(L, L, L) @@ -23,14 +26,5 @@ FastSpecSoG_neighbor = CellList3D(info, FastSpecSoG_interaction.r_c, boundary, 1) energy_sog = energy_naive(FastSpecSoG_interaction, FastSpecSoG_neighbor, info, atoms) - # coords = [p_info.position for p_info in info.particle_info] - # charge = [atoms[p_info.id].charge for p_info in info.particle_info] - # N_real = 200 - # N_img = 0 - # sys_q2d = SysQ2D((0.0, 0.0), (L, L, L), N_real, N_img, ϵ = 1.0) - # ref_pos, ref_charge = SysQ2DInit(sys_q2d, coords, charge) - # energy_icm = Energy_Q2D(sys_q2d, coords, charge, ref_pos, ref_charge) - - @show abs(energy_ewald - energy_sog) @test abs(energy_ewald - energy_sog) < 1e-4 end \ No newline at end of file diff --git a/test/runtests.jl b/test/runtests.jl index 5f4e255..7a91cbf 100644 --- a/test/runtests.jl +++ b/test/runtests.jl @@ -4,7 +4,7 @@ using ExTinyMD, EwaldSummations @testset "FastSpecSoG.jl" begin include("U_series.jl") - # include("energy_naive.jl") + include("energy_naive.jl") include("energy_mid.jl") include("energy_long.jl") end \ No newline at end of file