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#! /usr/bin/env python
#
# Copyright (C) 2015 Rich Lewis <[email protected]>
# License: 3-clause BSD
"""
## skchem.forcefields.base
Module specifying base class for forcefields.
class ForceField(object):
The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods:
class SomeClass: def some_method(self): """Do x and return foo."""
If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions.
def __init__(self, warn_on_fail=True, error_on_fail=True):
self.warn_on_fail = warn_on_fail
self.error_on_fail = error_on_fail
def optimize(self, mol):
raise NotImplementedError
richlewis42 /
scikit-chem
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The coding style of this project requires that you add a docstring to this code element. Below, you find an example for methods:
If you would like to know more about docstrings, we recommend to read PEP-257: Docstring Conventions.