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Anneal

Merged Kalevi Kokko requested to merge anneal into master
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@@ -4,9 +4,12 @@ report_file = True
[Simulation parameters]
sim_type = ase_sim
kT = 300
n_exchanges = 10000
n_frames = 100
kT_high = 500
kT_low = 100
n_steps_high = 10000
n_steps_fall = 10000
n_steps_low = 10000
n_frames = 200
rand_ox = True
[Lattice parameters]
@@ -31,3 +34,4 @@ Cr = o,#8a99c7
Al = ^,#bfa6a6
O = D,#ff0d0d
X = x,#000000
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