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Fix markdown and relative links on github.io page (#104)
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README.md

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@@ -47,7 +47,7 @@ It is possible to list all of the versions available on your platform with:
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conda search dftd4 --channel conda-forge
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```
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Now you are ready to use ``dftd4``.
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Now you are ready to use `dftd4`.
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### Building from Source
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## Usage
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DFT-D4 calculations can be performed with the ``dftd4`` executable.
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DFT-D4 calculations can be performed with the `dftd4` executable.
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To calculate the dispersion correction for PBE0-D4 run:
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```sh
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dftd4 --func pbe0 coord
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```
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In case you want to access the DFT-D4 results from other programs, dump the results to JSON with
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(the ``--noedisp`` flag prevents the ``.EDISP`` file generation):
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(the `--noedisp` flag prevents the `.EDISP` file generation):
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```sh
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dftd4 --func pbe0 --json --grad --noedisp struct.xyz
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dftd4 --pair-resolved mol.xyz
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```
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For an overview over all command line arguments use the ``--help`` argument or checkout the [``dftd4(1)``](man/dftd4.1.adoc) manpage.
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For an overview over all command line arguments use the `--help` argument or checkout the [`dftd4(1)`](https://github.com/dftd4/dftd4/blob/main/man/dftd4.1.adoc) manpage.
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## Parameters
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DFT-D4 is parametrized for plenty of density functionals.
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The available parameters are listed in the [parameters.toml file](./assets/parameters.toml).
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The available parameters are listed in the [parameters.toml file](https://github.com/dftd4/dftd4/blob/main/assets/parameters.toml).
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You can add new functionals using to the TOML file by adding a new subtable
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Other programming languages should try to interface with to DFT-D4 via one of those three APIs.
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To provide first class API support for a new language the interface specification should be available as meson build files.
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The ``dftd4`` binary provides with the ``--json`` option access to all quantities available from the APIs as well.
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The `dftd4` binary provides with the `--json` option access to all quantities available from the APIs as well.
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### Fortran API
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The recommended way to access the Fortran module API is by using ``dftd4`` as a meson subproject.
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The recommended way to access the Fortran module API is by using `dftd4` as a meson subproject.
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Alternatively, the project is accessible by the Fortran package manager ([fpm](https://github.com/fortran-lang/fpm)).
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The complete API is available from ``dftd4`` module, the individual modules are available to the user as well but are not part of the public API and therefore not guaranteed to remain stable.
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The complete API is available from `dftd4` module, the individual modules are available to the user as well but are not part of the public API and therefore not guaranteed to remain stable.
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ABI compatibility is only guaranteed for the same minor version.
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The communication with the Fortran API uses the ``error_type`` and ``structure_type`` of the modular computation tool chain library (mctc-lib) to handle errors and represent geometries, respectively.
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The communication with the Fortran API uses the `error_type` and `structure_type` of the modular computation tool chain library (mctc-lib) to handle errors and represent geometries, respectively.
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### C API
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The C API provides access to the basic Fortran objects and their most important methods to interact with them.
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All Fortran objects are available as opaque ``void*`` in C and can only be manipulated with the correct API calls.
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All Fortran objects are available as opaque `void*` in C and can only be manipulated with the correct API calls.
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To evaluate a dispersion correction in C four objects are available:
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1. the error handler:
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The Python API is disabled by default and can be built in-tree or out-of-tree.
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The in-tree build is mainly meant for end users and packages.
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To build the Python API with the normal project set the ``python`` option in the configuration step with
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To build the Python API with the normal project set the `python` option in the configuration step with
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```sh
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meson setup _build -Dpython=true -Dpython_version=3
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Proceed with the build as described before and install the projects to make the Python API available in the selected prefix.
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For the out-of-tree build see the instructions in the [``python``](./python) directory.
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For the out-of-tree build see the instructions in the [`python`](https://github.com/dftd4/dftd4/blob/main/python) directory.
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## Citation

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