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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@ -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.