@ -25,7 +25,7 @@ class PythonNumpy(unittest.TestCase):
|
||||
self.lmp.command("create_atoms 1 single 1.0 1.0 1.0")
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||||
self.lmp.command("create_atoms 1 single 1.0 1.0 1.5")
|
||||
self.lmp.command("compute coordsum all reduce sum x y z")
|
||||
natoms = int(self.lmp.get_natoms())
|
||||
natoms = self.lmp.get_natoms()
|
||||
self.assertEqual(natoms,2)
|
||||
values = self.lmp.numpy.extract_compute("coordsum", LMP_STYLE_GLOBAL, LMP_TYPE_VECTOR)
|
||||
self.assertEqual(len(values), 3)
|
||||
@ -43,7 +43,7 @@ class PythonNumpy(unittest.TestCase):
|
||||
self.lmp.command("create_atoms 1 single 1.0 1.0 1.0")
|
||||
self.lmp.command("create_atoms 1 single 1.0 1.0 1.5")
|
||||
self.lmp.command("compute ke all ke/atom")
|
||||
natoms = int(self.lmp.get_natoms())
|
||||
natoms = self.lmp.get_natoms()
|
||||
self.assertEqual(natoms,2)
|
||||
values = self.lmp.numpy.extract_compute("ke", LMP_STYLE_ATOM, LMP_TYPE_VECTOR)
|
||||
self.assertEqual(len(values), 2)
|
||||
|
||||
Reference in New Issue
Block a user