original repository: https://gitlab.kwant-project.org/r-j-skolasinski/discretizer
base commit: 2ca27cd988f13925ef78202136712843a0c06162
developed by: Rafal Skolasinski and Sebastian Rubbert

Pablo Piskunow authored 8 years ago and Joseph Weston committed 8 years ago

Also refactor '_update_moments_list' and add some tests
to check for when an odd number of KPM moments is used.

Hamiltonian value functions may now have signatures that depend on
different parameters. On finalization, Builders now inspect all of their
value functions and store the names of the parameters on which the value
function depends. Then, when evaluating the Hamiltonian, a particular
value function is only passed the parameters on which it depends.

'System.hamiltonian' has been updated to accept an extra keyword-only
parameter, 'params', which is a dictionary mapping parameter names to
values. This is mutually exclusive with the existing '*args'. All
top-level API that takes an 'args' parameter now also takes a
keyword-only parameter, 'params'

Pablo Piskunow authored 8 years ago and Joseph Weston committed 8 years ago

Now, the tolerance to which the spectral bounds of the Hamiltonian
are calculated is set by 'epsilon', which also controls the
rescaling of the Hamiltonian to ensure that the spectral bounds are
strictly between (-1, 1). Also the spectral bounds are only calculated
*once* (if not provided by the user).

Tómas authored 8 years ago and Joseph Weston committed 8 years ago

Uses the new conservation law and discrete symmetry interface
to Builder, and illustrates the separation of the scattering matrix into
blocks depending on conservation law eigenvalue.

Also improve the documentation for operators in general.

special methods are not included by autodocs by default, and
as class documentation pages are generated by autosummary,
we cannot just explicitly include __call__. We get around this
by using a custom autosummary template for the operator classes.

For cython extension modules, the method signature for __call__
is still not embedded properly.
See https://github.com/cython/cython/issues/1577.

This patch fixes the reasons for compiler warnings in
 - partitioner (signed unsigned comparison),
 - graph/util (maybe uninitialized),
 - operator (maybe uninitialized).

Add tests to make sure we explicity check for `sum == True`

This reverts commit e34b4b73.

Previously, calling an operator would spuriously return a float
when the operator was hermitian, even if the bra/ket vectors
sandwiching the operator were not the same.

Explicitly initialize pointers to NULL, refrain from using
pythonic constructs, e.g. `a or b`, with cython extension types;
this causes cython to produce (correct) code where pointers are
not cast to the correct type.