mirror of https://github.com/lammps/lammps.git
last round of spelling fixes
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@ -1370,7 +1370,7 @@ which have styles optimized for CPUs and KNLs.
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You need to have an Intel compiler, version 14 or higher to take full
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You need to have an Intel compiler, version 14 or higher to take full
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advantage of this package. While compilation with GNU compilers is
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advantage of this package. While compilation with GNU compilers is
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supported, performance will be suboptimal.
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supported, performance will be sub-optimal.
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NOTE: the USER-INTEL package contains styles that require using the
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NOTE: the USER-INTEL package contains styles that require using the
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-restrict flag, when compiling with Intel compilers.
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-restrict flag, when compiling with Intel compilers.
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@ -32,7 +32,7 @@ according to the formulation given in "(Ackland)"_#Ackland.
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Historically, LAMMPS had two, slightly different implementations of
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Historically, LAMMPS had two, slightly different implementations of
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the algorithm from the paper. With the {legacy} keyword, it is
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the algorithm from the paper. With the {legacy} keyword, it is
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possible to switch between the pre-2015 ({legacy yes}) and post-2015
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possible to switch between the pre-2015 ({legacy yes}) and post-2015
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implemention ({legacy no}). The post-2015 variant is the default.
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implementation ({legacy no}). The post-2015 variant is the default.
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In contrast to the "centro-symmetry
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In contrast to the "centro-symmetry
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parameter"_compute_centro_atom.html this method is stable against
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parameter"_compute_centro_atom.html this method is stable against
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@ -56,7 +56,7 @@ value and its corresponding pressure correction. The volumes in the file
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should be uniformly spaced. Both the volumes and the pressure corrections
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should be uniformly spaced. Both the volumes and the pressure corrections
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should be provided in the proper units, e.g. if you are using {units real},
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should be provided in the proper units, e.g. if you are using {units real},
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the volumes should all be in cubic angstroms, and the pressure corrections
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the volumes should all be in cubic angstroms, and the pressure corrections
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should all be in atomspheres. Furthermore, the table should start/end at a
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should all be in atmospheres. Furthermore, the table should start/end at a
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volume considerably smaller/larger than you expect your system to sample
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volume considerably smaller/larger than you expect your system to sample
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during the simulation. If the system ever reaches a volume outside of the
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during the simulation. If the system ever reaches a volume outside of the
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range provided, the simulation will stop.
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range provided, the simulation will stop.
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@ -11,7 +11,7 @@ fix rhok command :h3
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fix ID group-ID rhok nx ny nz K a :pre
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fix ID group-ID rhok nx ny nz K a :pre
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ID, group-ID are documented in "fix"_fix.html command
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ID, group-ID are documented in "fix"_fix.html command
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nx, ny, nz = k-vektor of collective density field
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nx, ny, nz = k-vector of collective density field
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K = spring constant of bias potential
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K = spring constant of bias potential
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a = anchor point of bias potential :ul
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a = anchor point of bias potential :ul
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@ -338,9 +338,9 @@ energy gradient of image i. ReplicaForce is the two-norm of the
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3N-length force vector (including nudging forces) for replica i.
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3N-length force vector (including nudging forces) for replica i.
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MaxAtomForce is the maximum force component of any atom in replica i.
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MaxAtomForce is the maximum force component of any atom in replica i.
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When a NEB calculation does not converge properly, the suplementary
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When a NEB calculation does not converge properly, the supplementary
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information can help understanding what is going wrong. For instance
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information can help understanding what is going wrong. For instance
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when the path angle becomes accute the definition of tangent used in
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when the path angle becomes accute, the definition of tangent used in
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the NEB calculation is questionable and the NEB cannot may diverge
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the NEB calculation is questionable and the NEB cannot may diverge
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"(Maras)"_#Maras2.
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"(Maras)"_#Maras2.
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@ -260,6 +260,7 @@ Caro
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cartesian
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cartesian
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Cates
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Cates
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cbecker
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cbecker
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ccache
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ccmake
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ccmake
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CCu
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CCu
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cd
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cd
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