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  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
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tools/i-pi/ipi/tests/test_runs.py
 
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"""Tests that the Lennard-Jones test case works properly.
 
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Copyright (C) 2013, Joshua More and Michele Ceriotti
 
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This program is free software: you can redistribute it and/or modify
 
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it under the terms of the GNU General Public License as published by
 
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the Free Software Foundation, either version 3 of the License, or
 
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(at your option) any later version.
 
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This program is distributed in the hope that it will be useful,
 
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but WITHOUT ANY WARRANTY; without even the implied warranty of
 
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 
 
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GNU General Public License for more details.
 
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You should have received a copy of the GNU General Public License
 
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along with this program. If not, see <http.//www.gnu.org/licenses/>.
 
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"""
 
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from common import TestSimulation
 
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def test_lj_gas():
 
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    ts = TestSimulation(input="../../test/lj/gas/input.xml", driver="../../drivers/driver.x")
 
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    ts.run()
 
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    # Test properties (e.g. latest positions/temperature etc)