remove work repetitions for 'the'

This commit is contained in:
Axel Kohlmeyer
2016-11-01 11:40:07 -04:00
parent 2e0d304c7e
commit 7fdd6e2807
19 changed files with 21 additions and 21 deletions

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@ -2830,7 +2830,7 @@ temp/drude"_compute_temp_drude.html. This requires also to use the
command {comm_modify vel yes}.
Short-range damping of the induced dipole interactions can be achieved
using Thole functions through the the "pair style
using Thole functions through the "pair style
thole"_pair_thole.html in "pair_style hybrid/overlay"_pair_hybrid.html
with a Coulomb pair style. It may be useful to use {coul/long/cs} or
similar from the CORESHELL package if the core and Drude particle come

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@ -536,7 +536,7 @@ For the {bin/cylinder} style the details are as follows. If {discard}
is set to {yes}, an out-of-domain atom will have its chunk ID set to
0. If {discard} is set to {no}, the atom will have its chunk ID set
to the first or last bin in both the radial and axis dimensions. If
{discard} is set to {mixed}, which is the default, the the radial
{discard} is set to {mixed}, which is the default, the radial
dimension is treated the same as for {discard} = no. But for the axis
dimensinon, it will only have its chunk ID set to the first or last
bin if bins extend to the simulation box boundary in the axis

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@ -154,7 +154,7 @@ radians instead of degrees. (Note: This changes the way the forces
are scaled in the 4th column of the data file.)
The optional "CHECKU" keyword is followed by a filename. This allows
the user to save all of the the {Ntable} different entries in the
the user to save all of the {Ntable} different entries in the
interpolated energy table to a file to make sure that the interpolated
function agrees with the user's expectations. (Note: You can
temporarily increase the {Ntable} parameter to a high value for this

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@ -165,7 +165,7 @@ extra buffering.
:line
The {element} keyword applies only to the the dump {cfg}, {xyz}, and
The {element} keyword applies only to the dump {cfg}, {xyz}, and
{image} styles. It associates element names (e.g. H, C, Fe) with
LAMMPS atom types. See the list of element names at the bottom of
this page.

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@ -150,7 +150,7 @@ initial box length is 100 Angstroms, and V is 10 Angstroms/psec, then
after 10 psec, the box length will have doubled. After 20 psec, it
will have tripled.
The {erate} style changes a dimension of the the box at a "constant
The {erate} style changes a dimension of the box at a "constant
engineering strain rate". The units of the specified strain rate are
1/time. See the "units"_units.html command for the time units
associated with different choices of simulation units,

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@ -237,7 +237,7 @@ described in the papers cited below, the purpose of this method is to
enable longer timesteps to be used (up to the numerical stability
limit of the integrator), while still producing the correct Boltzmann
distribution of atom positions. It is implemented within LAMMPS, by
changing how the the random force is applied so that it is composed of
changing how the random force is applied so that it is composed of
the average of two random forces representing half-contributions from
the previous and current time intervals.

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@ -87,7 +87,7 @@ end of each run. A positive value N means that the diagnostics are reported once
per N time-steps.
The diagnostics report the average # of integrator steps and RHS function evaluations
and run-time per ODE as well as the the average/RMS/min/max per process. If the
and run-time per ODE as well as the average/RMS/min/max per process. If the
reporting frequency is 1, the RMS/min/max per ODE are also reported. The per ODE
statistics can be used to adjust the tolerance and min/max step parameters. The
statistics per MPI process can be useful to examine any load imbalance caused by the

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@ -28,7 +28,7 @@ fix 1 all smd/adjust_dt 0.1 :pre
The fix calculates a new stable time increment for use with the SMD time integrators.
The stable time increment is based on multiple conditions. For the SPH pair styles, a
CFL criterion (Courant, Friedrichs & Lewy, 1928) is evaluated, which determines the the speed of
CFL criterion (Courant, Friedrichs & Lewy, 1928) is evaluated, which determines the speed of
sound cannot propagate further than a typical spacing between particles within a single time step to ensure
no information is lost. For the contact pair styles, a linear analysis of the pair potential determines a
stable maximum time step.

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@ -101,7 +101,7 @@ particles move in the normal way via a time integration "fix"_fix.html
with a short timestep dt. SRD particles advect with a large timestep
dt_SRD >= dt.
If the {lamda} keyword is not specified, the the SRD temperature
If the {lamda} keyword is not specified, the SRD temperature
{Tsrd} is used in the above formula to compute lamda. If the {lamda}
keyword is specified, then the {Tsrd} setting is ignored and the above
equation is used to compute the SRD temperature.

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@ -107,7 +107,7 @@ specified as parameters to the fix. The other quantities are derived.
The form of the heat diffusion equation used here is almost the same
as that in equation 6 of "(Duffy)"_#Duffy, with the exception that the
electronic density is explicitly reprensented, rather than being part
of the the specific heat parameter.
of the specific heat parameter.
Currently, fix ttm assumes that none of the user-supplied parameters
will vary with temperature. Note that "(Duffy)"_#Duffy used a tanh()

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@ -27,7 +27,7 @@ between quadruplets of atoms, which remain in force for the duration
of the simulation. The list of improper quadruplets is read in by a
"read_data"_read_data.html or "read_restart"_read_restart.html command
from a data or restart file. Note that the ordering of the 4 atoms in
an improper quadruplet determines the the definition of the improper
an improper quadruplet determines the definition of the improper
angle used in the formula for each style. See the doc pages of
individual styles for details.

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@ -284,7 +284,7 @@ ID2 x2 y2 z2
...
IDN xN yN zN :pre
The fields are the the atom ID, followed by the x,y,z coordinates.
The fields are the atom ID, followed by the x,y,z coordinates.
The lines can be listed in any order. Additional trailing information
on the line is OK, such as a comment.

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@ -44,7 +44,7 @@ one value from their respective list of values. A {file}-style
variable reads the next line from its associated file. An
{atomfile}-style variable reads the next set of lines (one per atom)
from its associated file. {String-} or {atom}- or {equal}- or
{world}-style variables cannot be used with the the next command,
{world}-style variables cannot be used with the next command,
since they only store a single value.
When any of the variables in the next command has no more values, a

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@ -99,7 +99,7 @@ The optional {exclude} keyword determines if forces are computed
between first neighbor (directly connected) bonds. For a setting of
{no}, first neighbor forces are computed; for {yes} they are not
computed. A setting of {no} cannot be used with the {min} option for
distance calculation because the the minimum distance between directly
distance calculation because the minimum distance between directly
connected bonds is zero.
Pair style {srp} turns off normalization of thermodynamic properties

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@ -214,7 +214,7 @@ when a correlated event occurs during the third stage of the loop
listed above, i.e. when only one replica is running dynamics.
When more than one replica detects an event at the end of the same
event check (every {t_event} steps) during the the second stage, then
event check (every {t_event} steps) during the second stage, then
one of them is chosen at random. The number of coincident events is
the number of replicas that detected an event. Normally, this value
should be 1. If it is often greater than 1, then either the number of
@ -241,7 +241,7 @@ time was spent in each stage (dephasing, dynamics, quenching, etc).
Any "dump files"_dump.html defined in the input script, will be
written to during a PRD run at timesteps corresponding to both
uncorrelated and correlated events. This means the the requested dump
uncorrelated and correlated events. This means the requested dump
frequency in the "dump"_dump.html command is ignored. There will be
one dump file (per dump command) created for all partitions.

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@ -188,7 +188,7 @@ is assumed to have been previously loaded by another python command.
Note that the Python code that is loaded and run must contain a
function with the specified {func} name. To operate properly when
later invoked, the the function code must match the {input} and
later invoked, the function code must match the {input} and
{return} and {format} keywords specified by the python command.
Otherwise Python will generate an error.

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@ -185,7 +185,7 @@ For dump files in {xyz} format, only the {x}, {y}, and {z} fields are
supported. The dump file does not store atom IDs, so these are
assigned consecutively to the atoms as they appear in the dump file,
starting from 1. Thus you should insure that order of atoms is
consistent from snapshot to snapshot in the the XYZ dump file. See
consistent from snapshot to snapshot in the XYZ dump file. See
the "dump_modify sort"_dump_modify.html command if the XYZ dump file
was written by LAMMPS.
@ -195,7 +195,7 @@ velocities, or their respective plugins may not support reading of
velocities. The molfile dump files do not store atom IDs, so these
are assigned consecutively to the atoms as they appear in the dump
file, starting from 1. Thus you should insure that order of atoms are
consistent from snapshot to snapshot in the the molfile dump file.
consistent from snapshot to snapshot in the molfile dump file.
See the "dump_modify sort"_dump_modify.html command if the dump file
was written by LAMMPS.

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@ -231,7 +231,7 @@ time was spent in each stage (NEB, dynamics, quenching, etc).
Any "dump files"_dump.html defined in the input script will be written
to during a TAD run at timesteps when an event is executed. This
means the the requested dump frequency in the "dump"_dump.html command
means the requested dump frequency in the "dump"_dump.html command
is ignored. There will be one dump file (per dump command) created
for all partitions. The atom coordinates of the dump snapshot are
those of the minimum energy configuration resulting from quenching

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@ -33,7 +33,7 @@ created by the surrounding particles. Drude oscillators represent
these dipoles by two fixed charges: the core (DC) and the Drude
particle (DP) bound by a harmonic potential. The Drude particle can be
thought of as the electron cloud whose center can be displaced from
the position of the the corresponding nucleus.
the position of the corresponding nucleus.
The sum of the masses of a core-Drude pair should be the mass of the
initial (unsplit) atom, \(m_C + m_D = m\). The sum of their charges