From f865058700c84dbfc8d1d3a9f30724fcc174748f Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 25 Oct 2012 15:21:33 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8999 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- python/examples/demo.py | 19 +++++++------------ 1 file changed, 7 insertions(+), 12 deletions(-) diff --git a/python/examples/demo.py b/python/examples/demo.py index be38d30167..eb43ec8795 100755 --- a/python/examples/demo.py +++ b/python/examples/demo.py @@ -22,11 +22,6 @@ me = 0 #nprocs = pypar.size() from lammps import lammps -from lammps import LMPINT as INT -from lammps import LMPDOUBLE as DOUBLE -from lammps import LMPIPTR as IPTR -from lammps import LMPDPTR as DPTR -from lammps import LMPDPTRPTR as DPTRPTR lmp = lammps() @@ -36,9 +31,9 @@ lmp.file("in.demo") if me == 0: print "\nPython output:" -natoms = lmp.extract_global("natoms",DOUBLE) -mass = lmp.extract_atom("mass",DPTR) -x = lmp.extract_atom("x",DPTRPTR) +natoms = lmp.extract_global("natoms",0) +mass = lmp.extract_atom("mass",2) +x = lmp.extract_atom("x",3) print "Natoms, mass, x[0][0] coord =",natoms,mass[1],x[0][0] temp = lmp.extract_compute("thermo_temp",0,0) @@ -53,13 +48,13 @@ print "Velocity component from atom-style variable =",vy[1] natoms = lmp.get_natoms() print "Natoms from get_natoms =",natoms -xc = lmp.get_coords() -print "Global coords from get_coords =",xc[0],xc[1],xc[31] +xc = lmp.gather_atoms("x",1,3) +print "Global coords from gather_atoms =",xc[0],xc[1],xc[31] xc[0] = xc[0] + 1.0 -lmp.put_coords(xc) +lmp.scatter_atoms("x",1,3,xc) -print "Changed x[0][0] via put_coords =",x[0][0] +print "Changed x[0][0] via scatter_atoms =",x[0][0] # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp