Merge pull request #5 from espenfl/update_license_to_bsd

Convert the main package to a more permissive BSD license

.prospector.yaml

@@ -25,3 +25,5 @@ pep257:
  - D407
  - D412
  - D413
+ - D416
+ - D415

MANIFEST.in

@@ -3,11 +3,6 @@ include setup.json
 include logging.yaml
 include src/t4me/spglib_interface/*.hpp
 include src/t4me/spglib_interface/spglib.cpp
-include src/t4me/gsl_interface/gsl.c
-include src/t4me/einspline_interface/*.hpp
-include src/t4me/einspline_interface/einspline.cpp
-include src/t4me/cubature_wildmagic_interface/*.hpp
-include src/t4me/cubature_wildmagic_interface/cubature_wildmagic.cpp
 include src/t4me/wildmagic_interface/*.hpp
 include src/t4me/wildmagic_interface/wildmagic.cpp
 include src/t4me/skw_interface/*.hpp

README.rst

@@ -39,7 +39,6 @@ Features
  - Parabolic bands
  - Parabolic bands pluss a quartic correction
  - Kane type of bands
- - Tight binding bands
 
  - Read from first-principle codes
 
@@ -73,16 +72,13 @@ Features
 
  - Trapezoidal, Simpson and Romberg integration of a static
  input grid
- - Linear tetrahedron method
+ - Linear tetrahedron method (Spglib needed)
  - Weighed sum method
- - Cubature integration with on-the-fly interpolation
 
 - Interpolation of the band structure and scattering properties:
 
  - All routines available in SciPy
  - GeometricTools/WildMagic regular grid routines
- - The RGF-ML routine available in ALGLIB
- - Einspline
 
 
 Structure
@@ -110,6 +106,5 @@ Research Council, Thelma project (228854).
 License
 *******
 
-This project is licensed under the GNU GPLv3. Please see
-``LICENSE.md`` included in the root folder of T4ME
-for additional details.
+This project is licensed under the BSD 3-clause license. Please see
+``LICENSE.md`` included in the root folder of T4ME for additional details.

docs/bparameters.rst

@@ -73,14 +73,6 @@ possible:
  where the effective mass :math:`m` is set by ``effmass`` and
  the correction factor :math:`\\alpha` is set by ``a``.
 
-- `3` - tight-binding bands if which the relation depends on the
- specific model used, but is typically a combination of cosines
- and sines. The tight-binding model is generated in PythTB using
- the additional parameters ``torb``, ``tonsite``,
- ``tadjust_onsite_zero`` and ``thop``. Users should consult the
- `PythTB manual <http:https://physics.rutgers.edu/pythtb/usage.html>`_
- for additional details.
-
 No band folding is performed, except for the tight-binding case.
 It is important thus to scale the unit cell such that there is
 enough band coverage within the requested region of the chemical
@@ -572,52 +564,3 @@ Example:
  emission: False
 
 Use absorption, i.e. a phonon is absorbed in the scattering event.
-
-Tight binding related parameters
---------------------------------
-
-In the following the parameters which set up the tight binding
-parameters are explained. They are only relevant if ``type`` is set
-to `3`. PythTB is used to set up the model. Please consult
-`PythTB manual <http:https://physics.rutgers.edu/pythtb/usage.html>`_
-for additional details.
-
-``torb``
-~~~~~~~~
-The direct coordinate of each tight binding orbital.
-
-Example:
-::
-
- torb: [[0.0,0.0,0.0]]
-
-A tight binding orbital is :math:`\\Gamma` centered.
-
-``tonsite``
-~~~~~~~~~~~
-The onsite energies for each orbital in units of eV.
-
-Example:
-::
-
- tonsite: [0.0]
-
-The onsite energy of the first orbital is set at 0.0 eV.
-
-``thop``
-~~~~~~~~
-A list of each hopping term, where each term has the format
-
-| [
-| amplitude in eV, indexi, indexj, indexR
-| ]
-
-as described in the
- `PythTB manual <http:https://physics.rutgers.edu/pythtb/usage.html>`_
-
-Example:
-::
-
- thop: [[-0.5, 0, 0, [1, 0, 0]],
- [-0.5, 0, 0, [0, 1, 0]],
- [-0.5, 0, 0, [0, 0, 1]]]

docs/conf.py

@@ -312,4 +312,4 @@
  # other settings go here
 }
 
-exclude_patterns = ['build', 'setup.*', 'gsl', 'constants']
+exclude_patterns = ['build', 'setup.*', 'constants']