diff --git a/CHANGELOG.md b/CHANGELOG.md index 4585703..1ad3b02 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,3 +1,15 @@ +## v0.1.3 + +### Improvements + + * Optimize topology information calculation [#27](https://github.com/peteboyd/lammps_interface/pull/27) + +### Bug fixes + + * fix legacy networkx commands [1065ff310172fad1f2cfb79dda7ea737de2cdab1](https://github.com/peteboyd/lammps_interface/commit/1065ff310172fad1f2cfb79dda7ea737de2cdab1) + * fix install from source [#36](https://github.com/peteboyd/lammps_interface/pull/36) + * fix Windows build [#32](https://github.com/peteboyd/lammps_interface/pull/32) + ## v0.1.2 ### Improvements diff --git a/README.md b/README.md index 91bfec9..d13a596 100644 --- a/README.md +++ b/README.md @@ -40,10 +40,10 @@ lammps-interface cif_file.cif This will create [Lammps] simulation files with UFF parameters. ### Jupyter notebook -In order to implement module to your project check out Jupyter notebooks provided in this repository in `/notebooks` for usage examples. +In order to integrate lammps-interface into your project, check out the Jupyter notebooks provided in [`/notebooks`](./notebooks) for usage examples. -## Licence -MIT licence (see LICENCE file) +## License +MIT license (see [LICENSE](LICENSE)) ## Citation The publication associated with this code is found here: diff --git a/lammps_interface/__init__.py b/lammps_interface/__init__.py index 9ac2b95..5404431 100644 --- a/lammps_interface/__init__.py +++ b/lammps_interface/__init__.py @@ -1,4 +1,4 @@ """ Lammps interface. """ -__version__ = "0.1.2" +__version__ = "0.1.3" diff --git a/setup.py b/setup.py index c6af54f..2a3d4a9 100644 --- a/setup.py +++ b/setup.py @@ -17,7 +17,7 @@ "Programming Language :: Python :: 3.7", "Programming Language :: Python :: 3.8", ], - version="0.1.2", + version="0.1.3", license="MIT", url="https://github.com/peteboyd/lammps_interface", description="Automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs",