<commit_before># cfiles, multi-formats analysis tools for chemistry

`cfiles` is an analysis frontend for the
[Chemfiles](https://github.com/chemfiles/chemfiles/) library, implementing analysis
algorithms for post-processing data from molecular or quantum simulations.

This is still in alpha mode, largely untested, created for dog-feeding purpose and as such
it will surely eat your laundry and do nasty things. Feel free to use it, without any
guarantee about the result.

## Functionalities

* Radial distribution functions;
* Convertion from one file format to another.

## Get it, build it

To build it you can run

```bash
git clone --recursive https://github.com/chemfiles/cfiles
cd cfiles
mkdir build
cd build
cmake ..
make install
```

> Note: on CentOS 7 with GCC 4.8, `cfiles` rely on the `boost_regex` library,
> which can be installed using `yum install boost-regex`. The cmake invocation
> must then be `cmake -DBoost_REGEX_LIBRARY_RELEASE=/usr/lib64 ..`.<commit_msg>Do not use make install in README<commit_after># cfiles, multi-formats analysis tools for chemistry

`cfiles` is an analysis frontend for the
[Chemfiles](https://github.com/chemfiles/chemfiles/) library, implementing analysis
algorithms for post-processing data from molecular or quantum simulations.

This is still in alpha mode, largely untested, created for dog-feeding purpose and as such
it will surely eat your laundry and do nasty things. Feel free to use it, without any
guarantee about the result.

## Functionalities

* Radial distribution functions;
* Convertion from one file format to another.

## Get it, build it

To build it you can run

```bash
git clone --recursive https://github.com/chemfiles/cfiles
cd cfiles
mkdir build
cd build
cmake ..
make
```

You can then copy the `cfiles` executable to some place in your path

> Note: on CentOS 7 with GCC 4.8, `cfiles` rely on the `boost_regex` library,
> which can be installed using `yum install boost-regex`. The cmake invocation
> must then be `cmake -DBoost_REGEX_LIBRARY_RELEASE=/usr/lib64 ..`.
{'fraction_non_alphanumeric': 0.07624633431085044, 'fraction_numerical': 0.004887585532746823, 'mean_word_length': 4.532432432432432, 'pattern_counts': {'":': 0, '<': 3, '<?xml version=': 0, '>': 9, 'https://': 4, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'dir': 'git-commits-cleaned', 'id': '1390071', 'n_tokens_mistral': 604, 'n_tokens_neox': 570, 'n_words': 272}