Christoph Groth authored 8 years ago and Pablo Piskunow committed 8 years ago

Before we used the include_dir argument to setup(), but this caused problems:
kwant/kwant#48

Christoph Groth authored 8 years ago and Pablo Piskunow committed 8 years ago

Commit a8b0463e turned out to be a bad
idea: unlike on Debian, on many platforms the numpy headers are not
available in the default include path.

Viacheslav Ostroukh authored 8 years ago and Pablo Piskunow committed 8 years ago

    1. Now can be compiled without MUMPS
       (previously exception was thrown)
    2. Gives sensible error message for Git install,
       but without installed Cython.

Add changes to notebook "kpm_random_hamiltonian" to check that peaks in SpectralDensity are located at the eigenvalues of a `kwant.rmt`

Different instances created with the same numpy random seed, used to create
slight different `moments_list`.
The randomness came from `scipy.sparse.linalg.eigh`, where a residual vector
`v0` is chosen randomly, unless deternimend. Now `v0` is generated with
`vector_factory`, so `when numpy.random.seed` is set to the same value between
different creations of an instance of `SpectralDensity`, the moments and
therefore, the densities are the same.

add docstring of `vector_factory` and deleted unused functions `_create_rand_vect_list` and `_sampling_points`.

default value of epsilon changed to 0.05 for improving the approximation near the edges of the spectrum

fix updating coeficients `coef_cheb` for `scipy.polynomial.chebyshev` after calling `increase_accuracy`

updates: better docstrings, __init__ can take kwant.operators, both operators and hamiltonians are converted to scipy.sparse.linalg.LinearOperator to perform matvec multiplications, function __call__ can take scalar or array arguments and returns the explicit evaluation of the polinomial, method average now uses scipy.integrate.simps, method set_energy_spacing changed to increase_energy_resolution.

Add tested version for the kpm module with methods for increasing accuracy, and a test notebook to try it