Merge branch 'release/0.0.5'

piskunow · Nov 29, 2023 · 7662cd6 · 7662cd6
2 parents f275fe6 + bac7537
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diff --git a/README.md b/README.md
@@ -1,7 +1,3 @@
-# kpm-tools
-
-=======
-
 # KPM Tools
 
 [![PyPI](https://img.shields.io/pypi/v/kpm-tools.svg)][pypi_]
@@ -25,18 +21,13 @@
 [pre-commit]: https://github.com/pre-commit/pre-commit
 [black]: https://github.com/psf/black
 
+KPM Tools is an open-source Python package that extends the Kernel Polynomial Method (KPM) functionalities of [Kwant](https://kwant-project.org/), a popular software for quantum transport simulations in tight-binding models. Our package specifically enhances the KPM expansion capabilities within the realm of closed tight-binding systems.
+
 ## Features
 
-- KPM expansion of typical spectal functions
-  - Density of states
-  - Green's functions
-  - Kubo conductivity
-  - Chern marker
-- Time evolution
-- Tools for system with periodic boundaries
-  - KPM vector factories that produces tiles
-  - Velocity operators adapted to periodic boundaries
-  - Distance operators adapted to periodic boundaries
+- Advanced KPM expansion of typical spectral functions like Density of States, Green's Functions, Kubo Conductivity, and Chern Markers.
+- Extremely efficient time evolution operator expansion
+- Additional functionalities like KPM vector factories producing tiles, and velocity and distance operators adapted to periodic boundaries.
 
 ## Requirements
 
@@ -56,8 +47,7 @@ Please see the [python api reference] for details.
 
 ## Contributing
 
-Contributions are very welcome.
-To learn more, see the [Contributor Guide].
+Contributions, especially in documentation and the 'concatenator' function/module, are very welcome. For more information, see our [Contributor Guide].
 
 ## License
 
@@ -71,6 +61,21 @@ please [file an issue] along with a detailed description.
 
 ## Credits
 
+Many of the ideas implemented in KPM Tools originate from the early work on KPM expansion on the paper
+
+_Computation of topological phase diagram of disordered PbSnTe using the kernel polynomial method_.
+
+[Phys. Rev. Research 2, 013229 (2020)](https://doi.org/10.48550/arXiv.1905.02215)
+[arXiv:1905:02215](https://arxiv.org/abs/1905.02215)
+
+Consider citing that work if you use this package on a publication.
+
+### Acknowledgments to Kwant
+
+KPM Tools is built upon the robust and efficient foundation provided by Kwant. We extend our gratitude to the Kwant authors and contributors for their work in developing a versatile platform for quantum transport simulations. KPM Tools aims to complement Kwant's capabilities in KPM expansions, adhering to the high standards of quality and performance set by the Kwant project.
+
+### Project Template
+
 This project was generated from [@cjolowicz]'s [Hypermodern Python Cookiecutter] template.
 
 [@cjolowicz]: https://github.com/cjolowicz

diff --git a/docs/tutorials.md b/docs/tutorials.md
@@ -5,7 +5,10 @@
 maxdepth: 1
 ---
 
+tutorials/tutorial_operators_and_functions
+tutorials/tutorial_conductivity
 tutorials/tutorial_bloch
+tutorials/tutorial_tiles
 tutorials/tutorial_time_evolution
 tutorials/tutorial_evolution_performance
 ```
diff --git a/docs/tutorials/tutorial_conductivity.ipynb b/docs/tutorials/tutorial_conductivity.ipynb
diff --git a/docs/tutorials/tutorial_operators_and_functions.ipynb b/docs/tutorials/tutorial_operators_and_functions.ipynb
diff --git a/docs/tutorials/tutorial_tiles.ipynb b/docs/tutorials/tutorial_tiles.ipynb
diff --git a/poetry.lock b/poetry.lock
diff --git a/pyproject.toml b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "kpm-tools"
-version = "0.0.4"
+version = "0.0.5"
 description = "KPM Tools"
 authors = ["Pablo Piskunow <[email protected]>"]
 license = "BSD 2-Clause"

diff --git a/src/kpm_tools/kpm_funcs.py b/src/kpm_tools/kpm_funcs.py
@@ -8,7 +8,7 @@
 
 
 def greens_function(syst, params, **kwargs):
-    """Build a Green's function operator using KPM.
+    """Build the retarded Green's function operator using KPM.
 
     Returns a function that takes an energy or a list of energies, and returns
     the Green's function with that energy acting on `vectors`.
@@ -38,15 +38,17 @@ def greens_function(syst, params, **kwargs):
         acting on the vectors, for those energies.
 
     """
-    return general_function(syst, params, coef_function=coef_greens_function, **kwargs)
+    return general_function(
+        syst, params, coef_function=coef_greens_function_r, **kwargs
+    )
 
 
 def delta_function(syst, params, **kwargs):
-    """Build a projector over the occupied energies.
+    """Build a projector onto the Fermi energy.
 
     Returns a function that takes a Fermi energy, and returns the
-    projection of the `vectors` over the occupied energies of the
-    Hamiltonian.
+    projection of the `vectors` onto the states that have the
+    same Fermi energy.
 
     Parameters
     ----------