Allow setting the position of atoms (691de01b) · Commits · 郑智淋 / lammps

python/lammps.py

+11 −0

Original line number	Diff line number	Diff line
		@@ -383,6 +383,12 @@ class Atom(object):
		self.lmp.eval("y[%d]" % self.index),
		self.lmp.eval("z[%d]" % self.index))

		@position.setter
		def position(self, value):
		self.lmp.set("atom", self.index, "x", value[0])
		self.lmp.set("atom", self.index, "y", value[1])
		self.lmp.set("atom", self.index, "z", value[2])

		@property
		def velocity(self):
		return (self.lmp.eval("vx[%d]" % self.index),
		@@ -409,6 +415,11 @@ class Atom2D(Atom):
		return (self.lmp.eval("x[%d]" % self.index),
		self.lmp.eval("y[%d]" % self.index))

		@position.setter
		def position(self, value):
		self.lmp.set("atom", self.index, "x", value[0])
		self.lmp.set("atom", self.index, "y", value[1])

		@property
		def velocity(self):
		return (self.lmp.eval("vx[%d]" % self.index),