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Allow setting the position of atoms

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Richard Berger
2016-08-09 04:11:42 -04:00
parent 33a87a470a
commit 691de01b33
1 changed files with 11 additions and 0 deletions
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11
python/lammps.py
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@ -383,6 +383,12 @@ class Atom(object):
self.lmp.eval("y[%d]" % self.index), self.lmp.eval("y[%d]" % self.index),
self.lmp.eval("z[%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 @property
def velocity(self): def velocity(self):
return (self.lmp.eval("vx[%d]" % self.index), return (self.lmp.eval("vx[%d]" % self.index),
@ -409,6 +415,11 @@ class Atom2D(Atom):
return (self.lmp.eval("x[%d]" % self.index), return (self.lmp.eval("x[%d]" % self.index),
self.lmp.eval("y[%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 @property
def velocity(self): def velocity(self):
return (self.lmp.eval("vx[%d]" % self.index), return (self.lmp.eval("vx[%d]" % self.index),