repel test

config/ase_titan_repel_warm.in

+[Job parameters]
+job_name = ase_titan_repel_warm
+report_file = True
+
+[Simulation parameters]
+sim_type = ase_sim
+kT = 300
+n_exchanges = 10000000
+n_frames = 200
+rand_ox = True
+
+[Lattice parameters]
+bounds_scale = 25
+x_scale = 1
+y_scale = 1
+z_scale = 1
+basis = Fe
+empty_space = 0.5
+pot_filename = potentials_repel.txt
+
+[Bulk dopants]
+Cr = 0.10
+Al = 0.05
+
+[Figure parameters]
+profile_mean_range = 100, 200
+profile_anim_range = False
+energy_range = True
+Fe = s,#e06633
+Cr = o,#8a99c7
+Al = ^,#bfa6a6
+O = D,#ff0d0d
+X = x,#000000

data/potentials_repel.txt

+	Fe		Cr		Al		O		X
+Fe	-100	-100	-100	-200	900
+Cr			-100	-100	-600	900
+Al					-100	-900	900
+O							0		900
+X									0