@@ -8,11 +8,11 @@ using StochasticDiffEq
88 σ = 0.34 # nm
99 ρ = 1374 / 1.6747 # Da/nm^3
1010 m = 39.95 # Da
11+ N = 125
12+ L = (m * N / ρ)^ (1 / 3 )# 10.229σ
13+ R = 0.5 * L
14+ v_dev = sqrt (kb * T / m)
1115 @testset " Andersen thermostat" begin
12- N = 216
13- L = (m * N / ρ)^ (1 / 3 )# 10.229σ
14- R = 0.5 * L
15- v_dev = sqrt (kb * T / m)
1616 bodies = generate_bodies_in_cell_nodes (N, m, v_dev, L)
1717
1818 τ = 0.5e-3 # ps or 1e-12 s
@@ -33,10 +33,6 @@ using StochasticDiffEq
3333 end
3434
3535 @testset " Berendsen thermostat" begin
36- N = 216
37- L = (m * N / ρ)^ (1 / 3 )# 10.229σ
38- R = 0.5 * L
39- v_dev = sqrt (kb * T / m)
4036 bodies = generate_bodies_in_cell_nodes (N, m, v_dev, L)
4137
4238 τ = 0.5e-3
@@ -56,10 +52,6 @@ using StochasticDiffEq
5652 end
5753
5854 @testset " Nose-Hoover thermostat" begin
59- N = 216
60- L = (m * N / ρ)^ (1 / 3 )# 10.229σ
61- R = 0.5 * L
62- v_dev = sqrt (kb * T / m)
6355 bodies = generate_bodies_in_cell_nodes (N, m, v_dev, L)
6456
6557 τ = 0.5e-3
@@ -79,10 +71,6 @@ using StochasticDiffEq
7971 end
8072
8173 @testset " Langevin thermostat" begin
82- N = 216
83- L = (m * N / ρ)^ (1 / 3 )# 10.229σ
84- R = 0.5 * L
85- v_dev = sqrt (kb * T / m)
8674 bodies = generate_bodies_in_cell_nodes (N, m, v_dev, L)
8775
8876 τ = 0.5e-3
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