Fix more typos in examples

This commit is contained in:
Richard Berger 2017-03-07 00:57:23 -05:00
parent 3a054d1a82
commit d6800405a5
33 changed files with 34 additions and 34 deletions

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@ -14,7 +14,7 @@ lmp_linux_mixed
lmp_linux_double
The precision (single, mixed, double) refers to the GPU and USER-CUDA
pacakge precision. See the README files in the lib/gpu and lib/cuda
package precision. See the README files in the lib/gpu and lib/cuda
directories for instructions on how to build the packages with
different precisions. The GPU and USER-CUDA sub-sections of the
doc/Section_accelerate.html file also describes this process.

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@ -93,7 +93,7 @@ peri: Peridynamic model of cylinder impacted by indenter
pour: pouring of granular particles into a 3d box, then chute flow
prd: parallel replica dynamics of vacancy diffusion in bulk Si
python: use of PYTHON package to invoke Python code from input script
qeq: use of QEQ pacakge for charge equilibration
qeq: use of QEQ package for charge equilibration
reax: RDX and TATB models using the ReaxFF
rigid: rigid bodies modeled as independent or coupled
shear: sideways shear applied to 2d solid, with and without a void

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@ -65,7 +65,7 @@ elastic:
in.bar1d_ghost_flux - Quasi-1D elastic wave propagation with coupling using boundary stresses from ghost atoms
in.bar1d_thermo_elastic - Quasi-1D finite temperature elastic wave propagation
in.cnt_electrostatic - Mechanical response of CNT with fixed charge density in an electric field
in.cnt_electrostatic2 - Mechanical reponse of CNT with self-consistent charge density and electric field
in.cnt_electrostatic2 - Mechanical response of CNT with self-consistent charge density and electric field
in.cnt_fixed_charge - Mechancial response of CNT with fixed atomic charges in an electric field
in.eam_energy - Quasi-static/quasi-1D coupling and transfer extraction of energy density for EAM gold
in.electron_density - Mechanical response of differnt CNT models with a self-consistent electron density and electric field
@ -146,7 +146,7 @@ elastic:
in.bar1d_ghost_flux - Quasi-1D elastic wave propagation with coupling using boundary stresses from ghost atoms
in.bar1d_thermo_elastic - Quasi-1D finite temperature elastic wave propagation
in.cnt_electrostatic - Mechanical response of CNT with fixed charge density in an electric field
in.cnt_electrostatic2 - Mechanical reponse of CNT with self-consistent charge density and electric field
in.cnt_electrostatic2 - Mechanical response of CNT with self-consistent charge density and electric field
in.cnt_fixed_charge - Mechancial response of CNT with fixed atomic charges in an electric field
in.eam_energy - Quasi-static/quasi-1D coupling and transfer extraction of energy density for EAM gold
in.electron_density - Mechanical response of differnt CNT models with a self-consistent electron density and electric field

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into and out of the MD region. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into and out of the MD region. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at 40.
# temperature is initially 20 everywhere and the left boundary BC is fixed at 40.
# The result should show heat diffusing through the FEM to the MD and back out
# to the FEM on the right. Insufficient time is captured to reach the linear
# steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests thermostats applied in all atom simulations. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into an MD region at a fixed temperature at one end. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing the boundaries should be observed,

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into and out of the MD region. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into and out of the MD region. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
# AtC Thermal Coupling
# This benchmark tests thermostats applied in all atom simulations. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into and out of the MD region. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -1,6 +1,6 @@
#AtC Thermal Coupling
# This benchmark tests heat conducting into and out of the MD region. The
# temperature is intially 20 everywhere and the left boundary BC is fixed at
# temperature is initially 20 everywhere and the left boundary BC is fixed at
# 40.# The result should show heat diffusing through the FEM to the MD and back
# out # to the FEM on the right. Insufficient time is captured to reach the
# linear # steady state, but heat crossing both boundaries should be observed.

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@ -24,7 +24,7 @@ pair_coeff 1 1 dpd 60.0 4.5 1.0
pair_coeff 1 2 none
pair_coeff 2 2 srp 100.0
# auto normalization of thermo quantites is turned off by pair srp
# auto normalization of thermo quantities is turned off by pair srp
# just divide by natoms
variable natoms equal count(all)
variable nPotEng equal c_thermo_pe/v_natoms

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@ -1,5 +1,5 @@
This directory illustrates the usage of fix-phonon to calculate the dynamical
matrix as well as phonon dispersion curve for FCC Cu based on EAM potentail.
matrix as well as phonon dispersion curve for FCC Cu based on EAM potential.
The files under this directory:

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@ -1,5 +1,5 @@
This directory illustrates the usage of fix-phonon to calculate the dynamical
matrix as well as phonon dispersion curve for Graphene based on a Tersoff potentail.
matrix as well as phonon dispersion curve for Graphene based on a Tersoff potential.
The files under this directory:

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@ -3,4 +3,4 @@ Examples and tests for USER-TALLY compute styles.
The examples in this directory show where and how compute tally styles
are equivalent to other facilities in LAMMPS and thus they can also be
used to validate their correct function. Various columns should have
equivalent or idential output as indicated in the input.
equivalent or identical output as indicated in the input.

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@ -24,7 +24,7 @@ times; the G-K and Einstein systems need to run longer to generate good statisti
The scripts were all run on a single processor. They all run in a
minute or so and produce the accompanying log files and profile files
(for velocity or momemtum flux).
(for velocity or momentum flux).
See the Movies page of the LAMMPS web site
(http://lammps.sandia.gov/movies.html), for animations of the NEMD

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@ -130,7 +130,7 @@ lmp_kokkos_omp -k on t 1 -sf kk -pk kokkos neigh half < in.lj
mpirun -np 2 lmp_kokkos_omp -k on t 4 -sf kk < in.lj # 2 MPI, 4 thread/MPI
Note that when running with just 1 thread/MPI, "-pk kokkos neigh half"
was speficied to use half neighbor lists which are faster when running
was specified to use half neighbor lists which are faster when running
on just 1 thread.
** KOKKOS package for CUDA

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# demo.py
# Purpose: illustrate use of many library interface commands

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# gui.py
# Purpose: control a continuously running LAMMPS simulation via a Tkinter GUI

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# mc.py
# Purpose: mimic operation of example/MC/in.mc via Python

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# plot.py
# Purpose: plot Temp of running LAMMPS simulation via GnuPlot in Pizza.py

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# simple.py
# Purpose: mimic operation of examples/COUPLE/simple/simple.cpp via Python

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# split.py
# Purpose: similar to simple.py, but first the world communicator

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# trivial.py
# Purpose: run a LAMMPS input script via Python

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# viz_atomeye.py
# Purpose: viz running LAMMPS simulation via AtomEye

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# viz_gl.py
# Purpose: viz running LAMMPS simulation via GL tool in Pizza.py

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# viz_pymol.py
# Purpose: viz running LAMMPS simulation via PyMol

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# viz_vmd.py
# Purpose: viz running LAMMPS simulation via VMD

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# vizplotgui_atomeye.py
# Purpose: viz running LAMMPS simulation via AtomEye with plot and GUI

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# vizplotgui_gl.py
# Purpose: viz running LAMMPS simulation via GL tool with plot and GUI

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# vizplotgui_pymol.py
# Purpose: viz running LAMMPS simulation via PyMol with plot and GUI

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@ -1,5 +1,5 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# preceding line should have path for Python on your machine
# vizplotgui_vmd.py
# Purpose: viz running LAMMPS simulation via VMD with plot and GUI