Bump version [skip ci]

README.md

@@ -4,26 +4,26 @@
 [![License](https://img.shields.io/badge/License-MIT-blue)](#license "Go to license section")
 [![Stable Docs](https://img.shields.io/badge/docs-stable-blue)](https://Griffin-Group.github.io/DarkMAGIC/latest/)
 [![Develop Docs](https://img.shields.io/badge/docs-develop-purple)](https://Griffin-Group.github.io/DarkMAGIC/develop/)
-<!--![GitHub Release](https://img.shields.io/github/v/release/oashour/DarkMAGIC?include_prereleases)-->
+![GitHub Release](https://img.shields.io/github/v/release/oashour/DarkMAGIC?include_prereleases)
 
-The **D**ark **M**atter ***A****b* *initio* phonon/ma**G**non **I**nteraction **C**alculator (**DarkMAGIC**) is a python package for calculating dark matter interaction rates with phonons and magnons in real materials, based on properties calculated from first principles (mainly, density functional theory). It is based on [the effective field theory developed by Trickle, Zhang and Zurek](https://arxiv.org/abs/2009.13534), and takes inspiration from the code they released with that paper, [PhonoDark](https://github.com/tanner-trickle/PhonoDark). 
+The **D**ark **M**atter ***A****b* *initio* phonon/ma**G**non **I**nteraction **C**alculator (DarkMAGIC) is a python package for calculating dark matter interaction rates with phonons and magnons in real materials, based on properties calculated from first principles (mainly, density functional theory). It is based on [the effective field theory developed by Trickle, Zhang and Zurek](https://arxiv.org/abs/2009.13534), and takes inspiration from the code they released with that paper and its precursors, [PhonoDark](https://github.com/tanner-trickle/PhonoDark). 
 
-DarkMAGIC is currently in pre-alpha testing, so not all features are implemented and not everything has been tested. Development is in progress, and once at a satisfying stage, a manuscript will be prepared.
+DarkMAGIC is currently in pre-alpha testing, so not all features are implemented, the public API is subject to change, and not everything has been tested thoroughly. Development is in progress, and once at a satisfying stage, a manuscript will be prepared.
 
 ## Features
-* Calculate scattering rates from single phonons and magnons.
+* Calculate scattering rates, reach and daily modulation for single phonons and magnons.
 * Supports phonon calculations using the frozen cell method or density functional perturbation theory with arbitrary DFT codes, based on the interface with [phonopy](https://phonopy.github.io/phonopy/).
-* Supports toy models and *ab initio*-based spin hamiltonians via [rad-tools](https://rad-tools.org/en/stable/) and [TB2J](https://tb2j.readthedocs.io/en/latest/).
-* Parallelized with MPI, and extremely performant.
+* Supports magnon calculations using *ab initio*-based spin hamiltonians via [rad-tools](https://rad-tools.org/en/stable/) and [TB2J](https://tb2j.readthedocs.io/en/latest/).
+* Parallelized with MPI, and highly performant.
 * Easy to use Python API, with multiple pre-defined benchmark models.
 * Portable HDF5 output format that allows the reconstruction of calculation as python objects. DarkMAGIC can also read and write HDF5 files in the format used by PhonoDark, but with limited functionality since it does not include all the parameters necessary to rebuild a calculation.
 
 ### Planned Features (short term)
 * In principle, all operators in the [EFT paper](https://arxiv.org/abs/2009.13534) are implemented for phonons, but only spin-independent operators are currently functional due to a recent refactoring. Only the magnetic dipole and anapole models for magnons are currently implemented. This will be dealt with soon.
-* JIT compilation for increased performance.
+* JIT compilation and shared-memory parallelism for increased performance.
 * Command line interface.
-* Further post-processing and plotting tools.
-* More documentation and examples. This website contains extensive, automatically-generated documentation for the python API.
+* Plotting tools
+* More documentation and examples. This website contains extensive, automatically-generated documentation for the python API, but it is not yet complete.
 
 ### Planned Features (long term)
 * Multi-phonon processes

docs/examples.md

@@ -5,7 +5,7 @@ More examples coming soon
 ## Light Scalar Mediator, Single Phonons, Solid He
 
 
-This will be run from a Jupyter notebook or as a python script
+This can be run from a Jupyter notebook or as a python script
 ```python
 import numpy as np
 
@@ -33,4 +33,4 @@ full_calc.evaluate()  # Run calculation
 full_calc.to_file()  # Write HDF5 file (default name is "material.name_model.name.h5")
 ```
 
-To run in parallel, simply run with `srun -n <nprocs> python script.py` or whatever alternative your system uses.
+To run in parallel, simply run with `srun -n <nprocs> python script.py` or whatever alternative your system uses, and use `full_calc.evaluate(mpi=True)` instead. Note that you need to install the optional `mpi` dependency for MPI calculations to work (i.e., `pip install darkmagic[mpi]`).

docs/formalism.md

@@ -1,3 +1,3 @@
 # Formalism
 
-Coming soon! For now refer to [this paper](https://arxiv.org/abs/2009.13534).
+Coming soon! For now, refer to [this paper](https://arxiv.org/abs/2009.13534).

docs/index.md

@@ -1,23 +1,23 @@
 # DarkMAGIC
 
-The **D**ark **M**atter ***A****b* *initio* phonon/ma**G**non **I**nteraction **C**alculator (DarkMAGIC) is a python package for calculating dark matter interaction rates with phonons and magnons in real materials, based on properties calculated from first principles (mainly, density functional theory). It is based on [the effective field theory developed by Trickle, Zhang and Zurek](https://arxiv.org/abs/2009.13534), and takes inspiration from the code they released with that paper, [PhonoDark](https://github.com/tanner-trickle/PhonoDark). 
+The **D**ark **M**atter ***A****b* *initio* phonon/ma**G**non **I**nteraction **C**alculator (DarkMAGIC) is a python package for calculating dark matter interaction rates with phonons and magnons in real materials, based on properties calculated from first principles (mainly, density functional theory). It is based on [the effective field theory developed by Trickle, Zhang and Zurek](https://arxiv.org/abs/2009.13534), and takes inspiration from the code they released with that paper and its precursors, [PhonoDark](https://github.com/tanner-trickle/PhonoDark). 
 
-DarkMAGIC is currently in pre-alpha testing, so not all features are implemented, the public API is unstable, and not everything has been tested. Development is in progress, and once at a satisfying stage, a manuscript will be prepared.
+DarkMAGIC is currently in pre-alpha testing, so not all features are implemented, the public API is subject to change, and not everything has been tested thoroughly. Development is in progress, and once at a satisfying stage, a manuscript will be prepared.
 
 ## Features
-* Calculate scattering rates from single phonons and magnons.
+* Calculate scattering rates, reach and daily modulation for single phonons and magnons.
 * Supports phonon calculations using the frozen cell method or density functional perturbation theory with arbitrary DFT codes, based on the interface with [phonopy](https://phonopy.github.io/phonopy/).
-* Supports toy models and *ab initio*-based spin hamiltonians via [rad-tools](https://rad-tools.org/en/stable/) and [TB2J](https://tb2j.readthedocs.io/en/latest/).
-* Parallelized with MPI, and extremely performant.
+* Supports magnon calculations using *ab initio*-based spin hamiltonians via [rad-tools](https://rad-tools.org/en/stable/) and [TB2J](https://tb2j.readthedocs.io/en/latest/).
+* Parallelized with MPI, and highly performant.
 * Easy to use Python API, with multiple pre-defined benchmark models.
 * Portable HDF5 output format that allows the reconstruction of calculation as python objects. DarkMAGIC can also read and write HDF5 files in the format used by PhonoDark, but with limited functionality since it does not include all the parameters necessary to rebuild a calculation.
 
 ### Planned Features (short term)
 * In principle, all operators in the [EFT paper](https://arxiv.org/abs/2009.13534) are implemented for phonons, but only spin-independent operators are currently functional due to a recent refactoring. Only the magnetic dipole and anapole models for magnons are currently implemented. This will be dealt with soon.
 * JIT compilation for increased performance.
 * Command line interface.
-* Further post-processing and plotting tools.
-* More documentation and examples. This website contains extensive, automatically-generated documentation for the python API.
+* Plotting tools
+* More documentation and examples. This website contains extensive, automatically-generated documentation for the python API, but it is not yet complete.
 
 ### Planned Features (long term)
 * Multi-phonon processes

pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "darkmagic"
-version = "0.0.2"
+version = "0.0.3"
 authors = [{ name = "Omar A. Ashour", email = "ashour@berkeley.edu" }]
 description = "The Dark Matter Ab initio maGnon/phonon Interaction Calculator (DarkMAGIC) is a python package for computing DM interaction rates with collective excitations based on ab initio calculations of material properties."
 readme = "README.md"