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Add PyLammps.atoms test and fix bug with -echo screen/both

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This commit is contained in:
Richard Berger
2020-09-16 12:48:20 -04:00
parent 9cdd35e625
commit 2270d8f4ec
2 changed files with 20 additions and 2 deletions
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8
unittest/python/python-pylammps.py
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@ -6,7 +6,10 @@ class PythonPyLammps(unittest.TestCase):
machine = None
if 'LAMMPS_MACHINE_NAME' in os.environ:
machine=os.environ['LAMMPS_MACHINE_NAME']
self.pylmp = PyLammps(name=machine, cmdargs=['-nocite', '-log','none', '-echo','screen'])
self.pylmp = PyLammps(name=machine, cmdargs=['-nocite', '-log','none', '-echo', 'screen'])
self.pylmp.units("lj")
self.pylmp.atom_style("atomic")
self.pylmp.atom_modify("map array")
if 'LAMMPS_CMAKE_CACHE' in os.environ:
self.cmake_cache = {}
@ -45,6 +48,9 @@ class PythonPyLammps(unittest.TestCase):
self.assertEqual(self.pylmp.lmp.create_atoms(2, id=None, type=types, x=x), 2)
self.assertEqual(self.pylmp.system.natoms, 2)
self.assertEqual(len(self.pylmp.atoms), 2)
self.assertEqual(self.pylmp.atoms[0].position, tuple(x[0:3]))
self.assertEqual(self.pylmp.atoms[1].position, tuple(x[3:6]))
if __name__ == "__main__":
unittest.main()