add test for naive

HPMolSim · Feb 7, 2024 · 97b58fd · 97b58fd
1 parent d4931d6
commit 97b58fd
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Showing 2 changed files with 4 additions and 10 deletions.
diff --git 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
diff --git 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