Variables
tuple	parser = ArgumentParser()

tuple	args = parser.parse_args()

tuple	output_dir = os.path.abspath("tmp")

tuple	config_file = open(args.config_filename, "r")

tuple	config = yaml.load(config_file)

tuple	output_file_name = os.path.join(output_dir, "three_particle_states.h5")

tuple	f = h5py.File(output_file_name, "w")

tuple	atomType = dtype([("x", float), ("y", float), ("z", float)])

tuple	atoms = zeros(3, dtype=atomType)

tuple	atomMetaType = dtype([("type", int), ("basisName", "S64")])

tuple	atomMeta = zeros(3, dtype=atomMetaType)

tuple	dataset2 = f.create_dataset("atomMeta", data=atomMeta)

tuple	angles = linspace(config["angleMin"], config["angleMax"], config["angleCount"])

tuple	r12s = linspace(config["r12Min"], config["r12Max"], config["r12Count"])

tuple	r13s = linspace(config["r13Min"], config["r13Max"], config["r13Count"])

list	ground_state_angle = config["groundState"]

tuple	gound_state_dataset = f.create_dataset("groundState", data=atoms)

tuple	statesGroup = f.create_group("states")

int	skipped = 0

int	stateCounter = 0

tuple	dataset = statesGroup.create_dataset("state%010d" % stateCounter, data=atoms)

Variable Documentation

tuple create_three_particle_states.angles = linspace(config["angleMin"], config["angleMax"], config["angleCount"])

tuple create_three_particle_states.args = parser.parse_args()

tuple create_three_particle_states.atomMeta = zeros(3, dtype=atomMetaType)

tuple create_three_particle_states.atomMetaType = dtype([("type", int), ("basisName", "S64")])

tuple create_three_particle_states.atoms = zeros(3, dtype=atomType)

tuple create_three_particle_states.atomType = dtype([("x", float), ("y", float), ("z", float)])

tuple create_three_particle_states.config = yaml.load(config_file)

tuple create_three_particle_states.config_file = open(args.config_filename, "r")

tuple create_three_particle_states.dataset = statesGroup.create_dataset("state%010d" % stateCounter, data=atoms)

tuple create_three_particle_states.dataset2 = f.create_dataset("atomMeta", data=atomMeta)

tuple create_three_particle_states.f = h5py.File(output_file_name, "w")

tuple create_three_particle_states.gound_state_dataset = f.create_dataset("groundState", data=atoms)

list create_three_particle_states.ground_state_angle = config["groundState"]

tuple create_three_particle_states.output_dir = os.path.abspath("tmp")

tuple create_three_particle_states.output_file_name = os.path.join(output_dir, "three_particle_states.h5")

tuple create_three_particle_states.parser = ArgumentParser()

tuple create_three_particle_states.r12s = linspace(config["r12Min"], config["r12Max"], config["r12Count"])

tuple create_three_particle_states.r13s = linspace(config["r13Min"], config["r13Max"], config["r13Count"])

int create_three_particle_states.skipped = 0

int create_three_particle_states.stateCounter = 0

tuple create_three_particle_states.statesGroup = f.create_group("states")

Variables