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adjust tests
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eahenle committed Jun 24, 2024
1 parent 628a03d commit 1b59add
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions test/grid.jl
Original file line number Diff line number Diff line change
Expand Up @@ -12,12 +12,12 @@ CH4 = Molecule("CH4")
UFF = LJForceField("UFF")

@testset "Grid Tests" verbose=true begin
@testset "required_n_pts" begin
@testset "required_n_pts" verbose=true begin
box = Box(1.0, 10.0, 5.0, π/2, π/2, π/2)
@test required_n_pts(box, 0.1) == (11, 101, 51)
end

@testset "read/write" begin
@testset "read/write" verbose=true begin
grid = Grid(Box(0.7, 0.8, 0.9, 1.5, 1.6, 1.7), (3, 3, 3), rand(Float64, (3, 3, 3)),
:kJ_mol, [1., 2., 3.])
write_cube(grid, "test_grid.cube")
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