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correct lammps.extract_global() method for returned arrays which are returned as list

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Axel Kohlmeyer
2021-03-25 10:09:08 -04:00
committed by Richard Berger
parent 3c41c12dbc
commit e0fdd2ad89
2 changed files with 26 additions and 4 deletions
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9
unittest/python/python-commands.py
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@ -268,6 +268,15 @@ create_atoms 1 single &
self.assertEqual(self.lmp.extract_global("boxyhi"), 2.0)
self.assertEqual(self.lmp.extract_global("boxzlo"), -3.0)
self.assertEqual(self.lmp.extract_global("boxzhi"), 3.0)
self.assertEqual(self.lmp.extract_global("boxlo"), [-1.0, -2.0, -3.0])
self.assertEqual(self.lmp.extract_global("boxhi"), [1.0, 2.0, 3.0])
self.assertEqual(self.lmp.extract_global("sublo"), [-1.0, -2.0, -3.0])
self.assertEqual(self.lmp.extract_global("subhi"), [1.0, 2.0, 3.0])
self.assertEqual(self.lmp.extract_global("periodicity"), [1,1,1])
# only valid for triclinic box
self.lmp.command("change_box all triclinic")
self.assertEqual(self.lmp.extract_global("sublo_lambda"), [0.0, 0.0, 0.0])
self.assertEqual(self.lmp.extract_global("subhi_lambda"), [1.0, 1.0, 1.0])
##############################
if __name__ == "__main__":