diff --git a/README.md b/README.md index f50363cfa..c336552e7 100644 --- a/README.md +++ b/README.md @@ -5,8 +5,7 @@ ![Anaconda](https://anaconda.org/conda-forge/pyiron_atomistics/badges/downloads.svg) ![Release](https://anaconda.org/conda-forge/pyiron_atomistics/badges/latest_release_date.svg) -pyiron - an integrated development environment (IDE) for computational materials science. It combines several tools in -a common platform: +pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science. It combines several tools in a common platform: * Atomic structure objects – compatible to the [Atomic Simulation Environment (ASE)](https://wiki.fysik.dtu.dk/ase/). * Atomistic simulation codes – like [LAMMPS](http://lammps.sandia.gov) and [VASP](https://www.vasp.at). @@ -19,13 +18,13 @@ a common platform: ![Screenshot of pyiron_atomistics running inside jupyterlab.](https://raw.githubusercontent.com/pyiron/pyiron_atomistics/main/docs/images/screenshots.png) pyiron (called pyron) is developed in the [Computational Materials Design department](https://www.mpie.de/CM) of -[Joerg Neugebauer](https://www.mpie.de/person/43010/2763386) at the [Max Planck Institut für Eisenforschung (Max Planck Institute for iron research)](https://www.mpie.de/2281/en). +[Joerg Neugebauer](https://www.mpie.de/person/43010/2763386) at the [Max Planck Institut für Nachhaltige Materialien (Max Planck Institute for Sustainable Materials)](https://www.mpie.de/2281/en). While its original focus was to provide a framework to develop and run complex simulation protocols as needed for ab initio thermodynamics it quickly evolved into a versatile tool to manage a wide variety of simulation tasks. In 2016 the [Interdisciplinary Centre for Advanced Materials Simulation (ICAMS)](http://www.icams.de) joined the development of the framework with a specific focus on high throughput applications. In 2018 pyiron was released as open-source project. -**pyiron_atomistics**: This is the documentation page for the basic infrastructure moduls of pyiron. If you're new to +**pyiron_atomistics**: This is the documentation page for the atomistic simulation moduls of pyiron. If you're new to pyiron and want to get an overview head over to [pyiron](https://pyiron.readthedocs.io/en/latest/). If you're looking for the API docs of pyiron_base check [pyiron_base](https://pyiron_base.readthedocs.io/en/latest/). diff --git a/docs/import.md b/docs/import.md index 9fb851bc2..fce2c8633 100644 --- a/docs/import.md +++ b/docs/import.md @@ -2,7 +2,7 @@ Finished VASP calculations that were created outside of pyiron_atomistics can be imported using the following script: ```python -from pyiron.project import Project +from pyiron_atomistics import Project pr = Project('imported_jobs') # Searches and imports vasp jobs from 'vasp_directory' path_to_import = "vasp_directory"