From 691de01b33839ffc77590e668db5115116c16e7c Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Tue, 9 Aug 2016 04:11:42 -0400
Subject: [PATCH] Allow setting the position of atoms
---
python/lammps.py | 11 +++++++++++
1 file changed, 11 insertions(+)
diff --git a/python/lammps.py b/python/lammps.py
index 285596caa6..c2e9fa983b 100644
--- a/python/lammps.py
+++ b/python/lammps.py
@@ -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),
--
GitLab