Metadata-Version: 2.1
Name: pyretis
Version: 2.5.0
Summary: A simulation package for rare events
Home-page: http://www.pyretis.org
Author: PyRETIS Development Team
Author-email: pyretis@pyretis.org
License: LGPLv2.1+
Keywords: rare-events md mc tps simulation tis retis
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: numpy (>=1.14.3)
Requires-Dist: scipy (>=1.1.0)
Requires-Dist: matplotlib (>=2.0.2)
Requires-Dist: sphinx (>=1.6.3)
Requires-Dist: sphinx-bootstrap-theme (>=0.6.0)
Requires-Dist: jinja2 (>=2.9.6)
Requires-Dist: docutils (>=0.14)
Requires-Dist: tqdm (>=4.15.0)
Requires-Dist: colorama (>=0.3.9)
Requires-Dist: pandas (>=0.23.4)
Requires-Dist: tables (>=3.5.1)
Requires-Dist: cython (>=0.29)


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PyRETIS
=======

PyRETIS is a library for **rare event simulations**
with emphasis on methods based on transition interface sampling
replica exchange transition interface sampling.

PyRETIS is open source (see the COPYING file)
and can be interfaced with other simulation packages such as GROMACS or
CP2K.

The documentation is located at http://www.pyretis.org or it can
found in the docs directory of the source code.


