git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2687 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -54,6 +54,21 @@ it gives quick access to documentation for all LAMMPS commands.
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<P><A HREF = "Manual.pdf">PDF file</A> of the entire manual, generated by
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<P><A HREF = "Manual.pdf">PDF file</A> of the entire manual, generated by
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<A HREF = "http://www.easysw.com/htmldoc">htmldoc</A>
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<A HREF = "http://www.easysw.com/htmldoc">htmldoc</A>
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</P>
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</P>
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<P>IMPORTANT NOTE: If you are reading these HTML doc pages on the LAMMPS
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WWW site, then they describe the most current, fully-patched version
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of LAMMPS, which has changed after the date listed above. These
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additions are described on <A HREF = "http://lammps.sandia.gov/bug.html">this
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page</A>. If you are reading these
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HTML doc pages from the doc directory of the tarball you downloaded,
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then they will describe that tarball, whether it was the original
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version for the date listed above, or an upgraded tarball including
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features up to the date you downloaded it, again as described on <A HREF = "http://lammps.sandia.gov/bug.html">this
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page</A>. When the tarball unpacks, it
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will contain the date that corresponds to which version you
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downloaded. The PDF file described above is not regenerated for every
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patch, so it always corresponds to the original version with the date
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listed above.
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</P>
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<OL><LI><A HREF = "Section_intro.html">Introduction</A>
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<OL><LI><A HREF = "Section_intro.html">Introduction</A>
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<UL> 1.1 <A HREF = "Section_intro.html#1_1">What is LAMMPS</A>
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<UL> 1.1 <A HREF = "Section_intro.html#1_1">What is LAMMPS</A>
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@ -51,6 +51,21 @@ it gives quick access to documentation for all LAMMPS commands.
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"PDF file"_Manual.pdf of the entire manual, generated by
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"PDF file"_Manual.pdf of the entire manual, generated by
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"htmldoc"_http://www.easysw.com/htmldoc
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"htmldoc"_http://www.easysw.com/htmldoc
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IMPORTANT NOTE: If you are reading these HTML doc pages on the LAMMPS
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WWW site, then they describe the most current, fully-patched version
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of LAMMPS, which has changed after the date listed above. These
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additions are described on "this
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page"_http://lammps.sandia.gov/bug.html. If you are reading these
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HTML doc pages from the doc directory of the tarball you downloaded,
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then they will describe that tarball, whether it was the original
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version for the date listed above, or an upgraded tarball including
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features up to the date you downloaded it, again as described on "this
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page"_http://lammps.sandia.gov/bug.html. When the tarball unpacks, it
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will contain the date that corresponds to which version you
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downloaded. The PDF file described above is not regenerated for every
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patch, so it always corresponds to the original version with the date
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listed above.
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"Introduction"_Section_intro.html :olb,l
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"Introduction"_Section_intro.html :olb,l
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1.1 "What is LAMMPS"_1_1 :ulb,b
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1.1 "What is LAMMPS"_1_1 :ulb,b
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1.2 "LAMMPS features"_1_2 :b
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1.2 "LAMMPS features"_1_2 :b
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@ -56,9 +56,18 @@ means that each timestep the total force and torque on each rigid body
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is computed and the coordinates and velocities of the atoms in each
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is computed and the coordinates and velocities of the atoms in each
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body are updated so that they move as a rigid body. This can be
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body are updated so that they move as a rigid body. This can be
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useful for freezing one or more portions of a large biomolecule, or
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useful for freezing one or more portions of a large biomolecule, or
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for simulating a system of colloidal particles. See the Restrictions
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for simulating a system of colloidal particles.
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section if you simply want to hold a group of atoms motionless or have
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</P>
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them move with constant velocity.
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<P>IMPORTANT NOTE: This fix is overkill if you just want to hold group of
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atoms stationary of have them move with a constant velocity. A
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simpler way to hold atoms stationary is to not include those atoms in
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your time integration fix. E.g. use "fix 1 mobile nve" instead of
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"fix 1 all nve", where "mobile" is the group of atoms that you want to
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move. You can move atoms with a constant velocity by assigning them
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an initial velocity (via the <A HREF = "velocity.html">velocity</A> command),
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setting the force on them to 0.0 (via the <A HREF = "fix_setforce.html">fix
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setforce</A> command), and integrating them as usual
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(e.g. via the <A HREF = "fix_nve.html">fix nve</A> command).
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</P>
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</P>
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<P>IMPORTANT NOTE: This fix updates the positions and velocities of the
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<P>IMPORTANT NOTE: This fix updates the positions and velocities of the
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rigid atoms with a constant-energy time integration, so you should not
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rigid atoms with a constant-energy time integration, so you should not
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@ -195,17 +204,6 @@ boundary, the input data file must define the image flags for each
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atom correctly, so that LAMMPS can "unwrap" the atoms into a valid
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atom correctly, so that LAMMPS can "unwrap" the atoms into a valid
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rigid body.
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rigid body.
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</P>
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</P>
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<P>This fix is overkill if you just want to hold group of atoms
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stationary of have them move with a constant velocity. A simpler way
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to hold atoms stationary is to not include those atoms in your time
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integration fix. E.g. use "fix 1 mobile nve" instead of "fix 1 all
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nve", where "mobile" is the group of atoms that you want to move. You
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can move atoms with a constant velocity by assigning them an initial
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velocity (via the <A HREF = "velocity.html">velocity</A> command), setting the force
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on them to 0.0 (via the <A HREF = "fix_setforce.html">fix setforce</A> command), and
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integrating them as usual (e.g. via the <A HREF = "fix_nve.html">fix nve</A>
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command).
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</P>
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<P><B>Related commands:</B>
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<P><B>Related commands:</B>
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</P>
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</P>
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<P><A HREF = "delete_bonds.html">delete_bonds</A>, <A HREF = "neigh_modify.html">neigh_modify</A>
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<P><A HREF = "delete_bonds.html">delete_bonds</A>, <A HREF = "neigh_modify.html">neigh_modify</A>
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@ -47,9 +47,18 @@ means that each timestep the total force and torque on each rigid body
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is computed and the coordinates and velocities of the atoms in each
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is computed and the coordinates and velocities of the atoms in each
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body are updated so that they move as a rigid body. This can be
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body are updated so that they move as a rigid body. This can be
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useful for freezing one or more portions of a large biomolecule, or
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useful for freezing one or more portions of a large biomolecule, or
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for simulating a system of colloidal particles. See the Restrictions
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for simulating a system of colloidal particles.
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section if you simply want to hold a group of atoms motionless or have
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them move with constant velocity.
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IMPORTANT NOTE: This fix is overkill if you just want to hold group of
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atoms stationary of have them move with a constant velocity. A
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simpler way to hold atoms stationary is to not include those atoms in
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your time integration fix. E.g. use "fix 1 mobile nve" instead of
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"fix 1 all nve", where "mobile" is the group of atoms that you want to
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move. You can move atoms with a constant velocity by assigning them
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an initial velocity (via the "velocity"_velocity.html command),
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setting the force on them to 0.0 (via the "fix
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setforce"_fix_setforce.html command), and integrating them as usual
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(e.g. via the "fix nve"_fix_nve.html command).
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IMPORTANT NOTE: This fix updates the positions and velocities of the
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IMPORTANT NOTE: This fix updates the positions and velocities of the
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rigid atoms with a constant-energy time integration, so you should not
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rigid atoms with a constant-energy time integration, so you should not
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@ -186,17 +195,6 @@ boundary, the input data file must define the image flags for each
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atom correctly, so that LAMMPS can "unwrap" the atoms into a valid
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atom correctly, so that LAMMPS can "unwrap" the atoms into a valid
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rigid body.
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rigid body.
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This fix is overkill if you just want to hold group of atoms
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stationary of have them move with a constant velocity. A simpler way
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to hold atoms stationary is to not include those atoms in your time
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integration fix. E.g. use "fix 1 mobile nve" instead of "fix 1 all
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nve", where "mobile" is the group of atoms that you want to move. You
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can move atoms with a constant velocity by assigning them an initial
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velocity (via the "velocity"_velocity.html command), setting the force
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on them to 0.0 (via the "fix setforce"_fix_setforce.html command), and
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integrating them as usual (e.g. via the "fix nve"_fix_nve.html
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command).
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[Related commands:]
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[Related commands:]
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"delete_bonds"_delete_bonds.html, "neigh_modify"_neigh_modify.html
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"delete_bonds"_delete_bonds.html, "neigh_modify"_neigh_modify.html
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