Updated ipython examples
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@ -73,7 +73,7 @@
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},
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"outputs": [],
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"source": [
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"from lammps import lammps, LammpsIPythonWrapper"
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"from lammps import lammps, IPyLammps"
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]
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},
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{
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@ -85,7 +85,7 @@
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"outputs": [],
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"source": [
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"lmp = lammps()\n",
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"L = LammpsIPythonWrapper(lmp)"
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"L = IPyLammps(lmp)"
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]
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},
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{
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@ -207,7 +207,7 @@
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{
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"data": {
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"text/plain": [
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"System(nangles=0, atom_style='bond', style='lj/cut', nimpropertypes=0, zlo=-0.582767, orthogonal_box=[58.2767, 40.3753, 1.16553], natoms=361, dihedral_style='none', angle_style='none', xhi=58.2767, dimensions=2, improper_style='none', xlo=0.0, ntypes=1, atom_map='array', bond_style='harmonic', molecule_type='standard', nbondtypes=1, kspace_style='none', nangletypes=0, nimpropers=0, ylo=0.0, units='lj', yhi=40.3753, zhi=0.582767, ndihedrals=0, boundaries='f,f f,f p,p', nbonds=1014)"
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"System(xlo=0.0, dihedral_style='none', atom_style='bond', xhi=58.2767, yhi=40.3753, orthogonal_box=[58.2767, 40.3753, 1.16553], boundaries='f,f f,f p,p', dimensions=2, atom_map='array', zhi=0.582767, ylo=0.0, bond_style='harmonic', units='lj', nimpropertypes=0, molecule_type='standard', style='lj/cut', kspace_style='none', ntypes=1, natoms=361, zlo=-0.582767, improper_style='none', ndihedrals=0, nbonds=1014, nangles=0, nimpropers=0, angle_style='none', nbondtypes=1, nangletypes=0)"
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]
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},
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"execution_count": 6,
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@ -295,7 +295,7 @@
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{
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"data": {
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"text/plain": [
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"Communication(mpi_version='MPI v3.0', nprocs=1, ghost_velocity=False, comm_style='brick', comm_layout='uniform', nthreads=1, proc_grid=[1, 1, 1])"
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"Communication(nprocs=1, ghost_velocity=False, proc_grid=[1, 1, 1], nthreads=1, comm_style='brick', mpi_version='MPI v3.0', comm_layout='uniform')"
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]
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},
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"execution_count": 10,
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@ -427,7 +427,7 @@
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{
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"data": {
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"text/plain": [
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"{'a': <lammps.Variable at 0x7ffa2c48a5f8>}"
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"{'a': <lammps.Variable at 0x7f9de49096a0>}"
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]
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},
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"execution_count": 16,
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@ -460,8 +460,8 @@
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{
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"data": {
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"text/plain": [
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"{'a': <lammps.Variable at 0x7ffa2c48a198>,\n",
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" 't': <lammps.Variable at 0x7ffa2c48a550>}"
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"{'a': <lammps.Variable at 0x7f9de4909588>,\n",
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" 't': <lammps.Variable at 0x7f9de4909668>}"
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]
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},
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"execution_count": 18,
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@ -711,7 +711,7 @@
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{
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"data": {
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"text/plain": [
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"<lammps.Atom at 0x7ffa2c48ae80>"
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"<lammps.Atom at 0x7f9de4909c50>"
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]
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},
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"execution_count": 30,
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