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Allow 'set' command to change atom velocities

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This commit is contained in:
Richard Berger
2018-07-13 23:05:44 -04:00
parent 6dfb74f23e
commit d00eaef070
2 changed files with 36 additions and 1 deletions
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11
python/lammps.py
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@ -708,6 +708,12 @@ class Atom(object):
self.lmp.eval("vy[%d]" % self.index),
self.lmp.eval("vz[%d]" % self.index))
@velocity.setter
def velocity(self, value):
self.lmp.set("atom", self.index, "vx", value[0])
self.lmp.set("atom", self.index, "vy", value[1])
self.lmp.set("atom", self.index, "vz", value[2])
@property
def force(self):
return (self.lmp.eval("fx[%d]" % self.index),
@ -738,6 +744,11 @@ class Atom2D(Atom):
return (self.lmp.eval("vx[%d]" % self.index),
self.lmp.eval("vy[%d]" % self.index))
@velocity.setter
def velocity(self, value):
self.lmp.set("atom", self.index, "vx", value[0])
self.lmp.set("atom", self.index, "vy", value[1])
@property
def force(self):
return (self.lmp.eval("fx[%d]" % self.index),