Version 0.4

Whats new?

Refractor most of the code. Move input in the separate submodule. Remove molecule plot type from rad-plot-tb2j.py script.

Major change in the logic of reading exchange files and templates. Instead of using the class to load the file as before:

from radtools.exchange.model import SpinHamiltonianTB2J
from radtools.exchange.template import ExchangeTemplate

model = SpinHamiltonianTB2J(filename)
template = ExchangeTemplate(template_filename)

Now one need to use read functions from input-output module:

from radtools.io.tb2j import load_tb2j_model
from radtools.io.internal import load_template

model = load_tb2j_model(filename)
template = load_template(template_filename)

0.4.1

Add --accuracy argument to the rad-extract-tb2j script.

0.4.2

Add get_bond_vector() to the SpinHamiltonian.

0.4.3

Add reciprocal vectors to the SpinHamiltonian.

0.4.4

Add io interface.

There are two ways to import read functions:

from radtools.io.tb2j import load_tb2j_model
from radtools.io import load_tb2j_model

from radtools.io.internal import
from radtools.io import load_template

Add number_spins_in_unit_cell() property to the SpinHamiltonian.

0.4.5

Add reduced_parameters to the SpinHamiltonian class.

0.4.6

Add exchange interface.

There are two ways to import read functions:

from radtools.exchange.model import SpinHamiltonian
from radtools.exchange import SpinHamiltonian

from radtools.exchange.template import ExchangeTemplate
from radtools.exchange import ExchangeTemplate

0.4.7

Add High symmetry k-points.

Add methods to round up the exchange model.

0.4.8

Add script for energy extractor.

0.4.9

Add --legend_location option (removed in 0.5.7) to the rad-plot-dos.py script.

0.4.10

Bugfix in rad-plot-dos.py script