more manual spelling fixes

This commit is contained in:
Axel Kohlmeyer
2018-11-19 16:13:57 -05:00
parent 8a94a32551
commit 13ae678f39
18 changed files with 28 additions and 28 deletions

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@ -460,7 +460,7 @@ compute. :dd
{Big particle in fix srd cannot be point particle} :dt {Big particle in fix srd cannot be point particle} :dt
Big particles must be extended spheriods or ellipsoids. :dd Big particles must be extended spheroids or ellipsoids. :dd
{Bigint setting in lmptype.h is invalid} :dt {Bigint setting in lmptype.h is invalid} :dt
@ -780,7 +780,7 @@ Cannot use tilt factors unless the simulation box is non-orthogonal. :dd
Self-explanatory. :dd Self-explanatory. :dd
{Cannot change box z boundary to nonperiodic for a 2d simulation} :dt {Cannot change box z boundary to non-periodic for a 2d simulation} :dt
Self-explanatory. :dd Self-explanatory. :dd
@ -1288,7 +1288,7 @@ are defined. :dd
You cannot reset the timestep when a fix that keeps track of elapsed You cannot reset the timestep when a fix that keeps track of elapsed
time is in place. :dd time is in place. :dd
{Cannot run 2d simulation with nonperiodic Z dimension} :dt {Cannot run 2d simulation with non-periodic Z dimension} :dt
Use the boundary command to make the z dimension periodic in order to Use the boundary command to make the z dimension periodic in order to
run a 2d simulation. :dd run a 2d simulation. :dd
@ -2116,29 +2116,29 @@ Self-explanatory. :dd
Fix setforce cannot be used in this manner. Use fix addforce Fix setforce cannot be used in this manner. Use fix addforce
instead. :dd instead. :dd
{Cannot use nonperiodic boundares with fix ttm} :dt {Cannot use non-periodic boundares with fix ttm} :dt
This fix requires a fully periodic simulation box. :dd This fix requires a fully periodic simulation box. :dd
{Cannot use nonperiodic boundaries with Ewald} :dt {Cannot use non-periodic boundaries with Ewald} :dt
For kspace style ewald, all 3 dimensions must have periodic boundaries For kspace style ewald, all 3 dimensions must have periodic boundaries
unless you use the kspace_modify command to define a 2d slab with a unless you use the kspace_modify command to define a 2d slab with a
non-periodic z dimension. :dd non-periodic z dimension. :dd
{Cannot use nonperiodic boundaries with EwaldDisp} :dt {Cannot use non-periodic boundaries with EwaldDisp} :dt
For kspace style ewald/disp, all 3 dimensions must have periodic For kspace style ewald/disp, all 3 dimensions must have periodic
boundaries unless you use the kspace_modify command to define a 2d boundaries unless you use the kspace_modify command to define a 2d
slab with a non-periodic z dimension. :dd slab with a non-periodic z dimension. :dd
{Cannot use nonperiodic boundaries with PPPM} :dt {Cannot use non-periodic boundaries with PPPM} :dt
For kspace style pppm, all 3 dimensions must have periodic boundaries For kspace style pppm, all 3 dimensions must have periodic boundaries
unless you use the kspace_modify command to define a 2d slab with a unless you use the kspace_modify command to define a 2d slab with a
non-periodic z dimension. :dd non-periodic z dimension. :dd
{Cannot use nonperiodic boundaries with PPPMDisp} :dt {Cannot use non-periodic boundaries with PPPMDisp} :dt
For kspace style pppm/disp, all 3 dimensions must have periodic For kspace style pppm/disp, all 3 dimensions must have periodic
boundaries unless you use the kspace_modify command to define a 2d boundaries unless you use the kspace_modify command to define a 2d
@ -8014,7 +8014,7 @@ Self-explanatory. :dd
{Package command after simulation box is defined} :dt {Package command after simulation box is defined} :dt
The package command cannot be used afer a read_data, read_restart, or The package command cannot be used after a read_data, read_restart, or
create_box command. :dd create_box command. :dd
{Package gpu command without GPU package installed} :dt {Package gpu command without GPU package installed} :dt

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@ -396,7 +396,7 @@ global pressure and thus a global temperature whatever the fix group.
We do want the pressure to correspond to the whole system, but we want We do want the pressure to correspond to the whole system, but we want
the temperature to correspond to the fix group only. We must then use the temperature to correspond to the fix group only. We must then use
the {fix_modify} command for this. In the end, the block of the {fix_modify} command for this. In the end, the block of
instructions for thermostating and barostating will look like instructions for thermostating and barostatting will look like
compute TATOMS ATOMS temp compute TATOMS ATOMS temp
fix DIRECT all drude/transform/direct fix DIRECT all drude/transform/direct

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@ -35,7 +35,7 @@ There are several "atom styles"_atom_style.html that allow for
definition of finite-size particles: sphere, dipole, ellipsoid, line, definition of finite-size particles: sphere, dipole, ellipsoid, line,
tri, peri, and body. tri, peri, and body.
The sphere style defines particles that are spheriods and each The sphere style defines particles that are spheroids and each
particle can have a unique diameter and mass (or density). These particle can have a unique diameter and mass (or density). These
particles store an angular velocity (omega) and can be acted upon by particles store an angular velocity (omega) and can be acted upon by
torque. The "set" command can be used to modify the diameter and mass torque. The "set" command can be used to modify the diameter and mass

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@ -64,7 +64,7 @@ post-processing codes. To some degree, that conversion can be done
directly inside of LAMMPS by interfacing to the VMD molfile plugins. directly inside of LAMMPS by interfacing to the VMD molfile plugins.
The "rerun"_rerun.html command also allows to do some post-processing The "rerun"_rerun.html command also allows to do some post-processing
of existing trajectories, and through being able to read a variety of existing trajectories, and through being able to read a variety
of file formats, this can also be used for analysing trajectories of file formats, this can also be used for analyzing trajectories
from other MD codes. Some post-processing tools packaged with from other MD codes. Some post-processing tools packaged with
LAMMPS will do these conversions. Scripts provided in the LAMMPS will do these conversions. Scripts provided in the
tools/python directory can extract and massage data in dump files to tools/python directory can extract and massage data in dump files to

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@ -1207,7 +1207,7 @@ USER-PLUMED package :link(PKG-USER-PLUMED),h4
[Contents:] [Contents:]
The fix plumed command allows you to use the PLUMED free energy plugin The fix plumed command allows you to use the PLUMED free energy plugin
for molecular dynamics to analyse and bias your LAMMPS trajectory on for molecular dynamics to analyze and bias your LAMMPS trajectory on
the fly. The PLUMED library is called from within the LAMMPS input the fly. The PLUMED library is called from within the LAMMPS input
script by using the "fix plumed _fix_plumed.html command. script by using the "fix plumed _fix_plumed.html command.

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@ -510,7 +510,7 @@ supported.
[References:] [References:]
Brown, W.M., Carrillo, J.-M.Y., Mishra, B., Gavhane, N., Thakker, F.M., De Kraker, A.R., Yamada, M., Ang, J.A., Plimpton, S.J., "Optimizing Classical Molecular Dynamics in LAMMPS," in Intel Xeon Phi Processor High Performance Programming: Knights Landing Edition, J. Jeffers, J. Reinders, A. Sodani, Eds. Morgan Kaufmann. :ulb,l Brown, W.M., Carrillo, J.-M.Y., Mishra, B., Gavhane, N., Thakkar, F.M., De Kraker, A.R., Yamada, M., Ang, J.A., Plimpton, S.J., "Optimizing Classical Molecular Dynamics in LAMMPS," in Intel Xeon Phi Processor High Performance Programming: Knights Landing Edition, J. Jeffers, J. Reinders, A. Sodani, Eds. Morgan Kaufmann. :ulb,l
Brown, W. M., Semin, A., Hebenstreit, M., Khvostov, S., Raman, K., Plimpton, S.J. "Increasing Molecular Dynamics Simulation Rates with an 8-Fold Increase in Electrical Power Efficiency."_http://dl.acm.org/citation.cfm?id=3014915 2016 High Performance Computing, Networking, Storage and Analysis, SC16: International Conference (pp. 82-95). :l Brown, W. M., Semin, A., Hebenstreit, M., Khvostov, S., Raman, K., Plimpton, S.J. "Increasing Molecular Dynamics Simulation Rates with an 8-Fold Increase in Electrical Power Efficiency."_http://dl.acm.org/citation.cfm?id=3014915 2016 High Performance Computing, Networking, Storage and Analysis, SC16: International Conference (pp. 82-95). :l

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@ -28,7 +28,7 @@ The results enable efficient identification and characterization of
twins and grains in hexagonal close-packed structures. twins and grains in hexagonal close-packed structures.
The output of the compute is thus the 3 components of a unit vector The output of the compute is thus the 3 components of a unit vector
associdate with each atom. The components are set to 0.0 for associated with each atom. The components are set to 0.0 for
atoms not in the group. atoms not in the group.
Details of the calculation are given in "(Barrett)"_#Barrett. Details of the calculation are given in "(Barrett)"_#Barrett.

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@ -106,7 +106,7 @@ There are two options for outputting the coordinates of the center of
mass (COM) of the body. The {x}, {y}, {z} attributes write the COM mass (COM) of the body. The {x}, {y}, {z} attributes write the COM
"unscaled", in the appropriate distance "units"_units.html (Angstroms, "unscaled", in the appropriate distance "units"_units.html (Angstroms,
sigma, etc). Use {xu}, {yu}, {zu} if you want the COM "unwrapped" by sigma, etc). Use {xu}, {yu}, {zu} if you want the COM "unwrapped" by
the image flags for each atobody. Unwrapped means that if the body the image flags for each body. Unwrapped means that if the body
COM has passed thru a periodic boundary one or more times, the value COM has passed thru a periodic boundary one or more times, the value
is generated what the COM coordinate would be if it had not been is generated what the COM coordinate would be if it had not been
wrapped back into the periodic box. wrapped back into the periodic box.

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@ -45,7 +45,7 @@ described in "Eike"_#Eike.
Typically this compute will be used in conjunction with the "fix Typically this compute will be used in conjunction with the "fix
adapt"_fix_adapt.html command which can perform alchemical adapt"_fix_adapt.html command which can perform alchemical
transformations by adusting the strength of an interaction potential transformations by adjusting the strength of an interaction potential
as a simulation runs, as defined by one or more as a simulation runs, as defined by one or more
"pair_style"_pair_style.html or "kspace_style"_kspace_style.html "pair_style"_pair_style.html or "kspace_style"_kspace_style.html
commands. This scaling is done via a prefactor on the energy, forces, commands. This scaling is done via a prefactor on the energy, forces,

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@ -132,7 +132,7 @@ In this example, {gCORES} is the group of the atom cores and {gDRUDES}
is the group of the Drude particles. The centers of mass of the Drude is the group of the Drude particles. The centers of mass of the Drude
oscillators will be thermostated at 298.0 and the internal degrees of oscillators will be thermostated at 298.0 and the internal degrees of
freedom will be thermostated at 5.0. The whole system will be freedom will be thermostated at 5.0. The whole system will be
barostated at 1.0. barostatted at 1.0.
In order to avoid the flying ice cube problem (irreversible transfer In order to avoid the flying ice cube problem (irreversible transfer
of linear momentum to the center of mass of the system), you may need of linear momentum to the center of mass of the system), you may need

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@ -127,7 +127,7 @@ which lattice point; the lattice indices start from 0. An auxiliary
code, "latgen"_http://code.google.com/p/latgen, can be employed to code, "latgen"_http://code.google.com/p/latgen, can be employed to
generate the compatible map file for various crystals. generate the compatible map file for various crystals.
In case one simulates a nonperiodic system, where the whole simulation In case one simulates a non-periodic system, where the whole simulation
box is treated as a unit cell, one can set {map_file} as {GAMMA}, so box is treated as a unit cell, one can set {map_file} as {GAMMA}, so
that the mapping info will be generated internally and a file is not that the mapping info will be generated internally and a file is not
needed. In this case, the dynamical matrix at only the gamma-point needed. In this case, the dynamical matrix at only the gamma-point

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@ -170,7 +170,7 @@ assigned a molecule ID of 4.
Note that "atomfile-style variables"_variable.html can also be used in Note that "atomfile-style variables"_variable.html can also be used in
place of atom-style variables, which means in this case that the place of atom-style variables, which means in this case that the
molecule IDs could be read-in from a separate file and assinged by the molecule IDs could be read-in from a separate file and assigned by the
"set"_set.html command. This allows you to initialize new per-atom "set"_set.html command. This allows you to initialize new per-atom
properties in a completely general fashion. properties in a completely general fashion.

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@ -61,7 +61,7 @@ in "(Hecht)"_#Hecht. The key idea behind using SRD particles as a
cheap coarse-grained solvent is that SRD particles do not interact cheap coarse-grained solvent is that SRD particles do not interact
with each other, but only with the solute particles, which in LAMMPS with each other, but only with the solute particles, which in LAMMPS
can be spheroids, ellipsoids, or line segments, or triangles, or rigid can be spheroids, ellipsoids, or line segments, or triangles, or rigid
bodies containing multiple spheriods or ellipsoids or line segments bodies containing multiple spheroids or ellipsoids or line segments
or triangles. The collision and rotation properties of the model or triangles. The collision and rotation properties of the model
imbue the SRD particles with fluid-like properties, including an imbue the SRD particles with fluid-like properties, including an
effective viscosity. Thus simulations with large solute particles can effective viscosity. Thus simulations with large solute particles can

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@ -93,7 +93,7 @@ localhost:5555 # client and server running on same machine
192.168.1.1:5555 # server is 192.168.1.1 192.168.1.1:5555 # server is 192.168.1.1
deptbox.uni.edu:5555 # server is deptbox.uni.edu :pre deptbox.uni.edu:5555 # server is deptbox.uni.edu :pre
The server specifes "*:5555" where "*" represents all available The server specifies "*:5555" where "*" represents all available
interfaces on the server's machine, and the port ID must match interfaces on the server's machine, and the port ID must match
what the client specifies. what the client specifies.

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@ -118,7 +118,7 @@ pair_coeff 3 3 3 nu10 :pre
By default the nu value for all triplets is set to 0.0. Thus it is By default the nu value for all triplets is set to 0.0. Thus it is
not required to provide pair_coeff commands that enumerate triplet not required to provide pair_coeff commands that enumerate triplet
interactions for all K types. If some I,J,K combination is not interactions for all K types. If some I,J,K combination is not
speficied, then there will be no 3-body ATM interactions for that specified, then there will be no 3-body ATM interactions for that
combination and all its permutations. However, as with all pair combination and all its permutations. However, as with all pair
styles, it is required to specify a pair_coeff command for all I,J styles, it is required to specify a pair_coeff command for all I,J
combinations, else an error will result. combinations, else an error will result.

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@ -82,7 +82,7 @@ styles.
Style {lj/sf/dipole/sf} computes "shifted-force" interactions between Style {lj/sf/dipole/sf} computes "shifted-force" interactions between
pairs of particles that each have a charge and/or a point dipole pairs of particles that each have a charge and/or a point dipole
moment. In general, a shifted-force potential is a (sligthly) modified moment. In general, a shifted-force potential is a (slightly) modified
potential containing extra terms that make both the energy and its potential containing extra terms that make both the energy and its
derivative go to zero at the cutoff distance; this removes derivative go to zero at the cutoff distance; this removes
(cutoff-related) problems in energy conservation and any numerical (cutoff-related) problems in energy conservation and any numerical

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@ -189,7 +189,7 @@ occur. These substyles are suitable to represent charges embedded in
the Lennard-Jones radius of another site (for example hydrogen atoms the Lennard-Jones radius of another site (for example hydrogen atoms
in several water models). in several water models).
NOTES: When using the core-softed Coulomb potentials with long-range NOTES: When using the soft-core Coulomb potentials with long-range
solvers ({coul/long/soft}, {lj/cut/coul/long/soft}, etc.) in a free solvers ({coul/long/soft}, {lj/cut/coul/long/soft}, etc.) in a free
energy calculation in which sites holding electrostatic charges are energy calculation in which sites holding electrostatic charges are
being created or annihilated (using "fix adapt/fep"_fix_adapt_fep.html being created or annihilated (using "fix adapt/fep"_fix_adapt_fep.html
@ -197,7 +197,7 @@ and "compute fep"_compute_fep.html) it is important to adapt both the
lambda activation parameter (from 0 to 1, or the reverse) and the lambda activation parameter (from 0 to 1, or the reverse) and the
value of the charge (from 0 to its final value, or the reverse). This value of the charge (from 0 to its final value, or the reverse). This
ensures that long-range electrostatic terms (kspace) are correct. It ensures that long-range electrostatic terms (kspace) are correct. It
is not necessary to use core-softed Coulomb potentials if the van der is not necessary to use soft-core Coulomb potentials if the van der
Waals site is present during the free-energy route, thus avoiding Waals site is present during the free-energy route, thus avoiding
overlap of the charges. Examples are provided in the LAMMPS source overlap of the charges. Examples are provided in the LAMMPS source
directory tree, under examples/USER/fep. directory tree, under examples/USER/fep.