plot_three_particle_states.py File Reference

Go to the source code of this file.

Namespaces
	plot_three_particle_states

Constant Groups
	plot_three_particle_states

Variables
tuple	plot_three_particle_states.parser = ArgumentParser()
tuple	plot_three_particle_states.args = parser.parse_args()
tuple	plot_three_particle_states.output_dir = os.path.abspath("tmp")
	plot_three_particle_states.states_files = args.states_files
tuple	plot_three_particle_states.output_file = os.path.join(output_dir, "three_particle_plot")
dictionary	plot_three_particle_states.plots = {}
	plot_three_particle_states.energy_min = inf
	plot_three_particle_states.energy_max = -inf
tuple	plot_three_particle_states.f = h5py.File(statesFile, "r")
tuple	plot_three_particle_states.atomsMeta = f.get("atomMeta")
list	plot_three_particle_states.energyOffset = atomsMeta.attrs["energyOffset"]
tuple	plot_three_particle_states.states = f.get("/states")
tuple	plot_three_particle_states.atoms = states.get(stateName)
list	plot_three_particle_states.r12 = atoms.attrs["r12"]
list	plot_three_particle_states.r13 = atoms.attrs["r13"]
list	plot_three_particle_states.angle = atoms.attrs["angle"]
string	plot_three_particle_states.plot_name = "%.4f"
list	plot_three_particle_states.energy = atoms.attrs["energy"]
list	plot_three_particle_states.r12_min = atomsMeta.attrs["r12Min"]
list	plot_three_particle_states.r12_max = atomsMeta.attrs["r12Max"]
list	plot_three_particle_states.r13_min = atomsMeta.attrs["r13Min"]
list	plot_three_particle_states.r13_max = atomsMeta.attrs["r13Max"]
list	plot_three_particle_states.angle_min = atomsMeta.attrs["angleMin"]
list	plot_three_particle_states.angle_max = atomsMeta.attrs["angleMax"]
tuple	plot_three_particle_states.r12s = linspace(r12_min, r12_max, 20)
tuple	plot_three_particle_states.r13s = linspace(r13_min, r13_max, 20)
tuple	plot_three_particle_states.n_plots = len(plots)
tuple	plot_three_particle_states.n_plots_per_dim = int(sqrt(n_plots) + 1)
int	plot_three_particle_states.plot_counter = 1
	plot_three_particle_states.vmin = energy_min
tuple	plot_three_particle_states.vmax = energy_min+(energy_max - energy_min)
tuple	plot_three_particle_states.fig = figure(figsize=(10,10))
tuple	plot_three_particle_states.ax = fig.add_subplot(n_plots_per_dim, n_plots_per_dim, plot_counter)
list	plot_three_particle_states.values = plots[plot_name]
tuple	plot_three_particle_states.grid_energies = griddata(array(values["r12s_r13s"]), array(values["energies"]), (grid_r12s, grid_r13s), method="nearest")
tuple	plot_three_particle_states.img