diff --git a/README.md b/README.md index 032451e..f4b2a8d 100644 --- a/README.md +++ b/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) -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 diff --git a/docs/examples.md b/docs/examples.md index 4a85c59..01a1968 100644 --- a/docs/examples.md +++ b/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 python script.py` or whatever alternative your system uses. \ No newline at end of file +To run in parallel, simply run with `srun -n 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]`). \ No newline at end of file diff --git a/docs/formalism.md b/docs/formalism.md index c77169b..5b39a02 100644 --- a/docs/formalism.md +++ b/docs/formalism.md @@ -1,3 +1,3 @@ # Formalism -Coming soon! For now refer to [this paper](https://arxiv.org/abs/2009.13534). \ No newline at end of file +Coming soon! For now, refer to [this paper](https://arxiv.org/abs/2009.13534). \ No newline at end of file diff --git a/docs/index.md b/docs/index.md index edd1917..5232272 100644 --- a/docs/index.md +++ b/docs/index.md @@ -1,14 +1,14 @@ # 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. @@ -16,8 +16,8 @@ DarkMAGIC is currently in pre-alpha testing, so not all features are implemented * 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 diff --git a/pyproject.toml b/pyproject.toml index 0c3be75..90a00d9 100644 --- a/pyproject.toml +++ b/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"