forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6826 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
b0f68420c3
commit
9c88bf8203
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@ -275,6 +275,9 @@ many timesteps, to run entirely on the GPU (except for inter-processor
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MPI communication), so that atom-based data (e.g. coordinates, forces)
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do not have to move back-and-forth between the CPU and GPU.
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<LI>The speed-up advantage of this approach is typically better when the
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number of atoms per GPU is large
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<LI>Data will stay on the GPU until a timestep where a non-GPU-ized fix or
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compute is invoked. Whenever a non-GPU operation occurs (fix,
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compute, output), data automatically moves back to the CPU as needed.
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@ -554,7 +554,7 @@ the list.
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<TR><TD >GROMACS pair potentials </TD><TD > Mark Stevens (Sandia)</TD></TR>
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<TR><TD >lmp2vmd tool </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>
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<TR><TD >compute group/group </TD><TD > Naveen Michaud-Agrawal (Johns Hopkins U)</TD></TR>
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<TR><TD >CG-CMM user package for coarse-graining </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>
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<TR><TD >USER-CG-CMM package for coarse-graining </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>
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<TR><TD >cosine/delta angle potential </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>
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<TR><TD >VIM editor add-ons for LAMMPS input scripts </TD><TD > Gerolf Ziegenhain</TD></TR>
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<TR><TD >pair lubricate </TD><TD > Randy Schunk (Sandia)</TD></TR>
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@ -539,7 +539,7 @@ fix smd for steered MD : Axel Kohlmeyer (U Penn)
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GROMACS pair potentials : Mark Stevens (Sandia)
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lmp2vmd tool : Axel Kohlmeyer (U Penn)
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compute group/group : Naveen Michaud-Agrawal (Johns Hopkins U)
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CG-CMM user package for coarse-graining : Axel Kohlmeyer (U Penn)
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USER-CG-CMM package for coarse-graining : Axel Kohlmeyer (U Penn)
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cosine/delta angle potential : Axel Kohlmeyer (U Penn)
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VIM editor add-ons for LAMMPS input scripts : Gerolf Ziegenhain
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pair lubricate : Randy Schunk (Sandia)
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@ -40,25 +40,25 @@ packages, more details are provided.
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<P>The current list of standard packages is as follows:
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</P>
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR><TD >asphere </TD><TD > aspherical particles and force fields</TD></TR>
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<TR><TD >class2 </TD><TD > class 2 force fields</TD></TR>
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<TR><TD >colloid </TD><TD > colloidal particle force fields</TD></TR>
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<TR><TD >dipole </TD><TD > point dipole particles and force fields</TD></TR>
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<TR><TD >gpu </TD><TD > GPU-enabled force field styles</TD></TR>
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<TR><TD >granular </TD><TD > force fields and boundary conditions for granular systems</TD></TR>
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<TR><TD >kspace </TD><TD > long-range Ewald and particle-mesh (PPPM) solvers</TD></TR>
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<TR><TD >manybody </TD><TD > metal, 3-body, bond-order potentials</TD></TR>
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<TR><TD >meam </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>
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<TR><TD >mc </TD><TD > Monte Carlo options</TD></TR>
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<TR><TD >molecule </TD><TD > force fields for molecular systems</TD></TR>
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<TR><TD >opt </TD><TD > optimized versions of a few pair potentials</TD></TR>
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<TR><TD >peri </TD><TD > Peridynamics model and potential</TD></TR>
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<TR><TD >poems </TD><TD > coupled rigid body motion</TD></TR>
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<TR><TD >reax </TD><TD > ReaxFF potential</TD></TR>
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<TR><TD >replica </TD><TD > multi-replica methods</TD></TR>
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<TR><TD >shock </TD><TD > methods for MD simulations of shock loading</TD></TR>
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<TR><TD >srd </TD><TD > stochastic rotation dynamics (SRD)</TD></TR>
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<TR><TD >xtc </TD><TD > dump atom snapshots in XTC format</TD></TR>
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<TR><TD >ASPHERE </TD><TD > aspherical particles and force fields</TD></TR>
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<TR><TD >CLASS2 </TD><TD > class 2 force fields</TD></TR>
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<TR><TD >COLLOID </TD><TD > colloidal particle force fields</TD></TR>
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<TR><TD >DIPOLE </TD><TD > point dipole particles and force fields</TD></TR>
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<TR><TD >GPU </TD><TD > GPU-enabled force field styles</TD></TR>
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<TR><TD >GRANULAR </TD><TD > force fields and boundary conditions for granular systems</TD></TR>
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<TR><TD >KSPACE </TD><TD > long-range Ewald and particle-mesh (PPPM) solvers</TD></TR>
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<TR><TD >MANYBODY </TD><TD > metal, 3-body, bond-order potentials</TD></TR>
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<TR><TD >MEAM </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>
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<TR><TD >MC </TD><TD > Monte Carlo options</TD></TR>
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<TR><TD >MOLECULE </TD><TD > force fields for molecular systems</TD></TR>
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<TR><TD >OPT </TD><TD > optimized versions of a few pair potentials</TD></TR>
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<TR><TD >PERI </TD><TD > Peridynamics model and potential</TD></TR>
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<TR><TD >POEMS </TD><TD > coupled rigid body motion</TD></TR>
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<TR><TD >REAX </TD><TD > ReaxFF potential</TD></TR>
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<TR><TD >REPLICA </TD><TD > multi-replica methods</TD></TR>
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<TR><TD >SHOCK </TD><TD > methods for MD simulations of shock loading</TD></TR>
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<TR><TD >SRD </TD><TD > stochastic rotation dynamics (SRD)</TD></TR>
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<TR><TD >XTC </TD><TD > dump atom snapshots in XTC format</TD></TR>
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<TR><TD >
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</TD></TR></TABLE></DIV>
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|
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@ -35,25 +35,25 @@ packages, more details are provided.
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The current list of standard packages is as follows:
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asphere : aspherical particles and force fields
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class2 : class 2 force fields
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colloid : colloidal particle force fields
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dipole : point dipole particles and force fields
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gpu : GPU-enabled force field styles
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granular : force fields and boundary conditions for granular systems
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kspace : long-range Ewald and particle-mesh (PPPM) solvers
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manybody : metal, 3-body, bond-order potentials
|
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meam : modified embedded atom method (MEAM) potential
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mc : Monte Carlo options
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molecule : force fields for molecular systems
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opt : optimized versions of a few pair potentials
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peri : Peridynamics model and potential
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poems : coupled rigid body motion
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reax : ReaxFF potential
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replica : multi-replica methods
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shock : methods for MD simulations of shock loading
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srd : stochastic rotation dynamics (SRD)
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xtc : dump atom snapshots in XTC format
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ASPHERE : aspherical particles and force fields
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CLASS2 : class 2 force fields
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COLLOID : colloidal particle force fields
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DIPOLE : point dipole particles and force fields
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GPU : GPU-enabled force field styles
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GRANULAR : force fields and boundary conditions for granular systems
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KSPACE : long-range Ewald and particle-mesh (PPPM) solvers
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MANYBODY : metal, 3-body, bond-order potentials
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MEAM : modified embedded atom method (MEAM) potential
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MC : Monte Carlo options
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MOLECULE : force fields for molecular systems
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OPT : optimized versions of a few pair potentials
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PERI : Peridynamics model and potential
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POEMS : coupled rigid body motion
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REAX : ReaxFF potential
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REPLICA : multi-replica methods
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SHOCK : methods for MD simulations of shock loading
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SRD : stochastic rotation dynamics (SRD)
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XTC : dump atom snapshots in XTC format
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:tb(s=:)
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:line
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@ -579,15 +579,18 @@ of simulations. For some packages, this will keep you from having to
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build auxiliary libraries (see below), and will also produce a smaller
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executable which may run a bit faster.
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</P>
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<P>By default, LAMMPS includes only the "kspace", "manybody", and
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"molecule" packages.
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<P>When you download a LAMMPS tarball, these packages are pre-installed
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in the src directory: KSPACE, MANYBODY,MOLECULE. When you download
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LAMMPS source files from the SVN or Git repositories, no packages are
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pre-installed.
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</P>
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<P>Packages are included or excluded by typing "make yes-name" or "make
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no-name", where "name" is the name of the package. You can also type
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"make yes-standard", "make no-standard", "make yes-user", "make
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no-user", "make yes-all" or "make no-all" to include/exclude various
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sets of packages. Type "make package" to see the all of the
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package-related make options.
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no-name", where "name" is the name of the package in lower-case, e.g.
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name = kspace for the KSPACE package or name = user-atc for the
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USER-ATC package. You can also type "make yes-standard", "make
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no-standard", "make yes-user", "make no-user", "make yes-all" or "make
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no-all" to include/exclude various sets of packages. Type "make
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package" to see the all of the package-related make options.
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</P>
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<P>IMPORTANT NOTE: Inclusion/exclusion of a package works by simply
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moving files back and forth between the main src directory and
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|
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@ -574,15 +574,18 @@ of simulations. For some packages, this will keep you from having to
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build auxiliary libraries (see below), and will also produce a smaller
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executable which may run a bit faster.
|
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|
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By default, LAMMPS includes only the "kspace", "manybody", and
|
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"molecule" packages.
|
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When you download a LAMMPS tarball, these packages are pre-installed
|
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in the src directory: KSPACE, MANYBODY,MOLECULE. When you download
|
||||
LAMMPS source files from the SVN or Git repositories, no packages are
|
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pre-installed.
|
||||
|
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Packages are included or excluded by typing "make yes-name" or "make
|
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no-name", where "name" is the name of the package. You can also type
|
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"make yes-standard", "make no-standard", "make yes-user", "make
|
||||
no-user", "make yes-all" or "make no-all" to include/exclude various
|
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sets of packages. Type "make package" to see the all of the
|
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package-related make options.
|
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no-name", where "name" is the name of the package in lower-case, e.g.
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name = kspace for the KSPACE package or name = user-atc for the
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USER-ATC package. You can also type "make yes-standard", "make
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no-standard", "make yes-user", "make no-user", "make yes-all" or "make
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no-all" to include/exclude various sets of packages. Type "make
|
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package" to see the all of the package-related make options.
|
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|
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IMPORTANT NOTE: Inclusion/exclusion of a package works by simply
|
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moving files back and forth between the main src directory and
|
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|
|
|
@ -49,7 +49,7 @@ internally; hence the units of K are in energy/radian^2.
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<P><B>Restrictions:</B>
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</P>
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<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
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MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
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||||
|
|
|
@ -46,7 +46,7 @@ internally; hence the units of K are in energy/radian^2.
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[Restrictions:]
|
||||
|
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This angle style can only be used if LAMMPS was built with the
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"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
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[Related commands:]
|
||||
|
|
|
@ -80,9 +80,9 @@ same value from the Ea formula.
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|||
</P>
|
||||
<P><B>Restrictions:</B>
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</P>
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||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"class2" package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
<P>This angle style can only be used if LAMMPS was built with the CLASS2
|
||||
package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section
|
||||
for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
@ -77,9 +77,9 @@ same value from the Ea formula.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"class2" package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
This angle style can only be used if LAMMPS was built with the CLASS2
|
||||
package. See the "Making LAMMPS"_Section_start.html#start_3 section
|
||||
for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
@ -52,7 +52,7 @@ internally; hence the units of K are in energy/radian^2.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"user-cg-cmm" package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
"user-cgCMM package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -49,7 +49,7 @@ internally; hence the units of K are in energy/radian^2.
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"user-cg-cmm" package. See the "Making
|
||||
"user-cgCMM package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -38,7 +38,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -35,7 +35,7 @@ K (energy) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -43,7 +43,7 @@ internally.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -40,7 +40,7 @@ internally.
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -51,7 +51,7 @@ geometry.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -48,7 +48,7 @@ geometry.
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -41,8 +41,8 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
USER-MISC package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
@ -38,8 +38,8 @@ theta (angle) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
@ -53,8 +53,8 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
USER-MISC package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
@ -50,8 +50,8 @@ A (real number) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
@ -43,7 +43,7 @@ internally.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -40,7 +40,7 @@ internally.
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -43,7 +43,7 @@ internally; hence the units of K are in energy/radian^2.
|
|||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -40,7 +40,7 @@ internally; hence the units of K are in energy/radian^2.
|
|||
[Restrictions:] none
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -77,7 +77,7 @@ for specific angle types.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P>Unlike other angle styles, the hybrid angle style does not store angle
|
||||
|
|
|
@ -74,7 +74,7 @@ for specific angle types.
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
Unlike other angle styles, the hybrid angle style does not store angle
|
||||
|
|
|
@ -83,7 +83,7 @@ page</A>.
|
|||
<P>Angle styles can only be set for atom_styles that allow angles to be
|
||||
defined.
|
||||
</P>
|
||||
<P>Most angle styles are part of the "molecular" package. They are only
|
||||
<P>Most angle styles are part of the MOLECULAR package. They are only
|
||||
enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
The doc pages for individual bond potentials tell if it is part of a
|
||||
|
|
|
@ -81,7 +81,7 @@ page"_Section_commands.html#cmd_5.
|
|||
Angle styles can only be set for atom_styles that allow angles to be
|
||||
defined.
|
||||
|
||||
Most angle styles are part of the "molecular" package. They are only
|
||||
Most angle styles are part of the MOLECULAR package. They are only
|
||||
enabled if LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
The doc pages for individual bond potentials tell if it is part of a
|
||||
|
|
|
@ -124,7 +124,7 @@ one that matches the specified keyword.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -121,7 +121,7 @@ one that matches the specified keyword.
|
|||
[Restrictions:]
|
||||
|
||||
This angle style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -124,12 +124,12 @@ section</A>.
|
|||
<A HREF = "read_data.html">read_data</A> or <A HREF = "create_box.html">create_box</A> command.
|
||||
</P>
|
||||
<P>The <I>angle</I>, <I>bond</I>, <I>full</I>, and <I>molecular</I> styles are part of the
|
||||
"molecular" package. The <I>dipole</I> style is part of the "dipole"
|
||||
MOLECULAR package. The <I>dipole</I> style is part of the "dipole"
|
||||
package. The <I>ellipsoid</I> style is part of the "asphere" package. The
|
||||
<I>peri</I> style is part of the "peri" package for Peridynamics. The
|
||||
<I>electron</I> style is part of the "user-eff" package for <A HREF = "pair_eff.html">electronic
|
||||
force fields</A>. The <I>wavepacket</I> style is part of the
|
||||
"user-awpmd" package for the <A HREF = "pair_awpmd.html">antisymmetrized wave packet MD
|
||||
<I>peri</I> style is part of the PERI package for Peridynamics. The
|
||||
<I>electron</I> style is part of the USER-EFF package for <A HREF = "pair_eff.html">electronic force
|
||||
fields</A>. The <I>wavepacket</I> style is part of the
|
||||
USER-AWPMD package for the <A HREF = "pair_awpmd.html">antisymmetrized wave packet MD
|
||||
method</A>. They are only enabled if LAMMPS was built
|
||||
with that package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
|
|
|
@ -120,12 +120,12 @@ This command cannot be used after the simulation box is defined by a
|
|||
"read_data"_read_data.html or "create_box"_create_box.html command.
|
||||
|
||||
The {angle}, {bond}, {full}, and {molecular} styles are part of the
|
||||
"molecular" package. The {dipole} style is part of the "dipole"
|
||||
MOLECULAR package. The {dipole} style is part of the "dipole"
|
||||
package. The {ellipsoid} style is part of the "asphere" package. The
|
||||
{peri} style is part of the "peri" package for Peridynamics. The
|
||||
{electron} style is part of the "user-eff" package for "electronic
|
||||
force fields"_pair_eff.html. The {wavepacket} style is part of the
|
||||
"user-awpmd" package for the "antisymmetrized wave packet MD
|
||||
{peri} style is part of the PERI package for Peridynamics. The
|
||||
{electron} style is part of the USER-EFF package for "electronic force
|
||||
fields"_pair_eff.html. The {wavepacket} style is part of the
|
||||
USER-AWPMD package for the "antisymmetrized wave packet MD
|
||||
method"_pair_awpmd.html. They are only enabled if LAMMPS was built
|
||||
with that package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
|
|
|
@ -42,7 +42,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
</UL>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the "class2"
|
||||
<P>This bond style can only be used if LAMMPS was built with the CLASS2
|
||||
package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section
|
||||
for more info on packages.
|
||||
</P>
|
||||
|
|
|
@ -39,7 +39,7 @@ K4 (energy/distance^4) :ul
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the "class2"
|
||||
This bond style can only be used if LAMMPS was built with the CLASS2
|
||||
package. See the "Making LAMMPS"_Section_start.html#start_3 section
|
||||
for more info on packages.
|
||||
|
||||
|
|
|
@ -45,7 +45,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P>You typically should specify <A HREF = "special_bonds.html"">special_bonds fene</A>
|
||||
|
|
|
@ -42,7 +42,7 @@ sigma (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
You typically should specify "special_bonds fene"_special_bonds.html"
|
||||
|
|
|
@ -50,7 +50,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P>You typically should specify <A HREF = "special_bonds.html"">special_bonds fene</A>
|
||||
|
|
|
@ -47,7 +47,7 @@ delta (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
You typically should specify "special_bonds fene"_special_bonds.html"
|
||||
|
|
|
@ -40,7 +40,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -37,7 +37,7 @@ r0 (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -45,8 +45,8 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
USER-MISC package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
@ -40,8 +40,8 @@ rc (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
@ -43,8 +43,8 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
USER-MISC package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
@ -40,8 +40,8 @@ rc (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
@ -60,7 +60,7 @@ bond types.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P>Unlike other bond styles, the hybrid bond style does not store bond
|
||||
|
|
|
@ -57,7 +57,7 @@ bond types.
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
Unlike other bond styles, the hybrid bond style does not store bond
|
||||
|
|
|
@ -41,7 +41,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -38,7 +38,7 @@ r0 (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -41,7 +41,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -38,7 +38,7 @@ lamda (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -76,7 +76,7 @@ delete_bonds all bond 0 remove
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P>The <I>quartic</I> style requires that <A HREF = "special_bonds.html">special_bonds</A>
|
||||
|
|
|
@ -73,7 +73,7 @@ delete_bonds all bond 0 remove :pre
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
The {quartic} style requires that "special_bonds"_special_bonds.html
|
||||
|
|
|
@ -92,7 +92,7 @@ page</A>.
|
|||
<P>Bond styles can only be set for atom styles that allow bonds to be
|
||||
defined.
|
||||
</P>
|
||||
<P>Most bond styles are part of the "molecular" package. They are only
|
||||
<P>Most bond styles are part of the MOLECULAR package. They are only
|
||||
enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
The doc pages for individual bond potentials tell if it is part of a
|
||||
|
|
|
@ -89,7 +89,7 @@ page"_Section_commands.html#cmd_5.
|
|||
Bond styles can only be set for atom styles that allow bonds to be
|
||||
defined.
|
||||
|
||||
Most bond styles are part of the "molecular" package. They are only
|
||||
Most bond styles are part of the MOLECULAR package. They are only
|
||||
enabled if LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
The doc pages for individual bond potentials tell if it is part of a
|
||||
|
|
|
@ -121,7 +121,7 @@ one that matches the specified keyword.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -118,7 +118,7 @@ one that matches the specified keyword.
|
|||
[Restrictions:]
|
||||
|
||||
This bond style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -58,8 +58,8 @@ of LAMMPS output options.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-misc" package. It is only enabled
|
||||
if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
<P>This compute is part of the USER-MISC package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -55,8 +55,8 @@ of LAMMPS output options.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-misc" package. It is only enabled
|
||||
if LAMMPS was built with that package. See the "Making
|
||||
This compute is part of the USER-MISC package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -45,7 +45,7 @@ above.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "peri" package. It is only enabled if
|
||||
<P>This compute is part of the PERI package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -42,7 +42,7 @@ above.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "peri" package. It is only enabled if
|
||||
This compute is part of the PERI package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -54,7 +54,7 @@ scalar value will be a 0 or 1 as explained above.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This command can only be used if LAMMPS was built with the "replica"
|
||||
<P>This command can only be used if LAMMPS was built with the REPLICA
|
||||
package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section
|
||||
for more info on packages.
|
||||
</P>
|
||||
|
|
|
@ -51,7 +51,7 @@ scalar value will be a 0 or 1 as explained above.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This command can only be used if LAMMPS was built with the "replica"
|
||||
This command can only be used if LAMMPS was built with the REPLICA
|
||||
package. See the "Making LAMMPS"_Section_start.html#start_3 section
|
||||
for more info on packages.
|
||||
|
||||
|
|
|
@ -69,7 +69,7 @@ output options.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-eff" package. It is only enabled if
|
||||
<P>This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -66,7 +66,7 @@ The per-atom vector values will be in energy "units"_units.html.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-eff" package. It is only enabled if
|
||||
This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -72,7 +72,7 @@ scalar value will be in energy <A HREF = "units.html">units</A>.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-eff" package. It is only enabled if
|
||||
<P>This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -69,7 +69,7 @@ scalar value will be in energy "units"_units.html.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-eff" package. It is only enabled if
|
||||
This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -65,9 +65,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
<A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
|
||||
|
|
|
@ -61,9 +61,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
|
||||
These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
"Making LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
|
|
@ -95,9 +95,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
<A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
|
||||
|
|
|
@ -91,9 +91,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
|
||||
These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
"Making LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
|
|
@ -75,9 +75,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
<A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
|
||||
|
|
|
@ -71,9 +71,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
|
||||
These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
"Making LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
|
|
@ -137,7 +137,7 @@ vector values will be in energy <A HREF = "units.html">units</A>.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "asphere" package. It is only enabled if
|
||||
<P>This compute is part of the ASPHERE package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -129,7 +129,7 @@ vector values will be in energy "units"_units.html.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "asphere" package. It is only enabled if
|
||||
This compute is part of the ASPHERE package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -63,7 +63,7 @@ vector values will be in energy <A HREF = "units.html">units</A>.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-eff" package. It is only enabled if
|
||||
<P>This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -60,7 +60,7 @@ vector values will be in energy "units"_units.html.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-eff" package. It is only enabled if
|
||||
This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -85,7 +85,7 @@ the simulation.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-eff" package. It is only enabled if
|
||||
<P>This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -82,7 +82,7 @@ the simulation.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-eff" package. It is only enabled if
|
||||
This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -83,9 +83,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
</P>
|
||||
<P>These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
<A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.
|
||||
<P>These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
|
||||
|
|
|
@ -79,9 +79,9 @@ run faster, depending on your available hardware, as discussed in
|
|||
styles take the same arguments and should produce the same results,
|
||||
except for round-off and precision issues.
|
||||
|
||||
These accelerated styles are part of the "user-cuda" package. They
|
||||
are only enabled if LAMMPS was built with that package. See the
|
||||
"Making LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
These accelerated styles are part of the USER-CUDA package. They are
|
||||
only enabled if LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
|
|
|
@ -54,7 +54,7 @@ vector values will be in energy <A HREF = "units.html">units</A>.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-eff" package. It is only enabled if
|
||||
<P>This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
|
|
|
@ -51,7 +51,7 @@ vector values will be in energy "units"_units.html.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-eff" package. It is only enabled if
|
||||
This compute is part of the USER-EFF package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
|
|
|
@ -88,8 +88,8 @@ vector values will be in energy <A HREF = "units.html">units</A>.
|
|||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This compute is part of the "user-misc" package. It is only enabled
|
||||
if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
<P>This compute is part of the USER-MISC package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -85,8 +85,8 @@ vector values will be in energy "units"_units.html.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This compute is part of the "user-misc" package. It is only enabled
|
||||
if LAMMPS was built with that package. See the "Making
|
||||
This compute is part of the USER-MISC package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -70,7 +70,7 @@ need any 1-4 information.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -67,7 +67,7 @@ need any 1-4 information.
|
|||
[Restrictions:]
|
||||
|
||||
This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -140,7 +140,7 @@ listed under a "BondBond13 Coeffs" heading and you must leave out the
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"class2" package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
CLASS2 package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -137,7 +137,7 @@ r3 (distance) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This dihedral style can only be used if LAMMPS was built with the
|
||||
"class2" package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
CLASS2 package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -52,8 +52,8 @@ commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
USER-MISC package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
|
||||
section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
|
|
|
@ -49,8 +49,8 @@ A (real number) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This dihedral style can only be used if LAMMPS was built with the
|
||||
"user-misc" package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
@ -38,7 +38,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -35,7 +35,7 @@ n (integer >= 0) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -46,7 +46,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
|
@ -43,7 +43,7 @@ C (energy) :ul
|
|||
[Restrictions:]
|
||||
|
||||
This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
@ -78,7 +78,7 @@ for specific dihedral types.
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P>Unlike other dihedral styles, the hybrid dihedral style does not store
|
||||
|
|
|
@ -75,7 +75,7 @@ for specific dihedral types.
|
|||
[Restrictions:]
|
||||
|
||||
This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the "Making
|
||||
MOLECULAR package (which it is by default). See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
||||
|
||||
Unlike other dihedral styles, the hybrid dihedral style does not store
|
||||
|
|
|
@ -40,7 +40,7 @@ or <A HREF = "read_restart.html">read_restart</A> commands:
|
|||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This dihedral style can only be used if LAMMPS was built with the
|
||||
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
MOLECULAR package (which it is by default). See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info on packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
|
|
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Reference in New Issue