Package atooms
A framework for simulations of interacting particles.
Blank namespace package.
Expand source code
# This file is part of atooms
# Copyright 2010-2017, Daniele Coslovich
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
"""
A framework for simulations of interacting particles.
Blank namespace package.
"""
from pkgutil import extend_path
__path__ = extend_path(__path__, __name__)
Sub-modules
atooms.backends
-
Simulation backends …
atooms.core
-
Global variables.
atooms.optimization
-
Optimization framework for systems of interacting particles …
atooms.plugins
-
Package for system-wide plugins.
atooms.simulation
-
Simulation framework for systems of interacting particles …
atooms.system
-
Systems are composed by particles enclosed in a simulation cell, possibly in contact with a reservoir.
atooms.trajectory
-
Read and write trajectory files in various formats.