Metadata-Version: 2.1
Name: atomtools
Version: 1.9.4
Summary: basic atom tools collection
Home-page: https://github.com/atomse/atomtools
Author: Sky Zhang
Author-email: sky.atomse@gmail.com
Maintainer: Sky Zhang
Maintainer-email: sky.atomse@gmail.com
License: MIT License
Platform: Linux
Platform: Darwin
Classifier: Development Status :: 4 - Beta
Classifier: Operating System :: MacOS
Classifier: Operating System :: POSIX
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: Implementation
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Requires-Python: >=3
Description-Content-Type: text/markdown
Requires-Dist: chemdata (>=1.5.2)
Requires-Dist: psutil
Requires-Dist: chardet (>=3.0.4)
Requires-Dist: numpy
Provides-Extra: curate
Requires-Dist: graphviz ; extra == 'curate'
Provides-Extra: docs
Requires-Dist: sphinx ; extra == 'docs'
Requires-Dist: sphinxcontrib-programoutput ; extra == 'docs'
Requires-Dist: sphinx-rtd-theme ; extra == 'docs'
Requires-Dist: numpydoc ; extra == 'docs'
Provides-Extra: tests
Requires-Dist: pytest (>=4.0) ; extra == 'tests'
Requires-Dist: pytest-cov ; extra == 'tests'

# AtomTools

Collection of atom manupulation tools

[![Build Status](https://travis-ci.org/atomse/atomtools.svg?branch=master)](https://travis-ci.org/atomse/atomtools)
![PyPI](https://img.shields.io/pypi/v/atomtools.svg)


## name

* randString
* get_atoms_name

## unit

unit module contains all unit transform function isncluding

* trans_length
* trans_abs_energy
* trans_energy
* trans_velocity


## geo

geo module contains all frequenctly used geometry functions

* get_atoms_name
* get_atoms_size


basic measurements

* get_distance
* get_angle
* get_dihedral


matrix measurements

* get_distance_matrix
* get_contact_matrix
* dist_change_matrix
* freq_dist_change_matrix
* get_rotation_matrix


coordination transformation

* cartesian_to_zmatrix
* cartesian_to_spherical
* spherical_to_cartesian
* input_standard_pos_transform



## file

file module process all file related with file


* get_file_content
* get_filename
* get_extension



## filetype

* gaussian/gaussian-out/gaussian-fchk/gaussian-chk
* adf/adf-out
* POSCAR/vasprun.xml/CONTCAR/INCAR/POTCAR
* json
* sdf



## TODOS




