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marvinfriede committed Apr 25, 2024
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -80,7 +80,7 @@ pip install tad-dftd4

### conda

_tad-dftd4_ is also available from `conda`.
*tad-dftd4* is also available from ``conda``.

```sh
conda install tad-dftd4
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12 changes: 8 additions & 4 deletions docs/index.rst
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Expand Up @@ -13,6 +13,10 @@ Torch autodiff for DFT-D4
:target: https://pypi.org/project/tad-dftd4/
:alt: PyPI

.. image:: https://img.shields.io/conda/vn/conda-forge/tad-dftd4.svg
:target: https://anaconda.org/conda-forge/tad-dftd4
:alt: PyPI

.. image:: https://img.shields.io/badge/License-Apache%202.0-blue.svg
:target: http://www.apache.org/licenses/LICENSE-2.0
:alt: Apache-2.0
Expand All @@ -33,14 +37,14 @@ Torch autodiff for DFT-D4
:target: https://tad-dftd4.readthedocs.io
:alt: Documentation Status

.. image:: https://codecov.io/gh/marvinfriede/tad-dftd4/branch/master/graph/badge.svg?token=OGJJnZ6t4G
:target: https://codecov.io/gh/marvinfriede/tad-dftd4
:alt: Coverage

.. image:: https://results.pre-commit.ci/badge/github/dftd4/tad-dftd4/main.svg
:target: https://results.pre-commit.ci/latest/github/dftd4/tad-dftd4/main
:alt: pre-commit.ci status

.. image:: https://codecov.io/gh/marvinfriede/tad-dftd4/branch/master/graph/badge.svg?token=OGJJnZ6t4G
:target: https://codecov.io/gh/marvinfriede/tad-dftd4
:alt: Coverage


Implementation of the DFT-D4 dispersion model in PyTorch.
This module allows to process a single structure or a batch of structures for the calculation of atom-resolved dispersion energies.
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