git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15588 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -39,7 +39,7 @@ This section describes how to perform common tasks using LAMMPS.
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6.27 "Drude induced dipoles"_#howto_27 :all(b)
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The example input scripts included in the LAMMPS distribution and
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highlighted in "Section_example"_Section_example.html also show how to
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highlighted in "Section 7"_Section_example.html also show how to
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setup and run various kinds of simulations.
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:line
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@ -180,7 +180,7 @@ used in the CHARMM, AMBER, and DREIDING force fields. Setting
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coefficients is done in the input data file via the
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"read_data"_read_data.html command or in the input script with
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commands like "pair_coeff"_pair_coeff.html or
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"bond_coeff"_bond_coeff.html. See "Section_tools"_Section_tools.html
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"bond_coeff"_bond_coeff.html. See "Section 9"_Section_tools.html
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for additional tools that can use CHARMM or AMBER to assign force
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field coefficients and convert their output into LAMMPS input.
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@ -673,7 +673,7 @@ processors to start up another program). In the latter case the
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stand-alone code could communicate with LAMMPS thru files that the
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command writes and reads.
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See "Section_modify"_Section_modify.html of the documentation for how
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See "Section 10"_Section_modify.html of the documentation for how
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to add a new command to LAMMPS.
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(3) Use LAMMPS as a library called by another code. In this case the
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@ -709,12 +709,12 @@ example, from C++ you could create one (or more) "instances" of
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LAMMPS, pass it an input script to process, or execute individual
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commands, all by invoking the correct class methods in LAMMPS. From C
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or Fortran you can make function calls to do the same things. See
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"Section_python"_Section_python.html of the manual for a description
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"Section 11"_Section_python.html of the manual for a description
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of the Python wrapper provided with LAMMPS that operates through the
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LAMMPS library interface.
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The files src/library.cpp and library.h contain the C-style interface
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to LAMMPS. See "Section_howto 19"_Section_howto.html#howto_19 of the
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to LAMMPS. See "Section 6.19"_Section_howto.html#howto_19 of the
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manual for a description of the interface and how to extend it for
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your needs.
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@ -746,7 +746,7 @@ and atom trajectories.
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Several programs included with LAMMPS as auxiliary tools can convert
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native LAMMPS dump files to other formats. See the
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"Section_tools"_Section_tools.html doc page for details. The first is
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"Section 9"_Section_tools.html doc page for details. The first is
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the "ch2lmp tool"_Section_tools.html#charmm, which contains a
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lammps2pdb Perl script which converts LAMMPS dump files into PDB
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files. The second is the "lmp2arc tool"_Section_tools.html#arc which
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@ -1840,7 +1840,7 @@ converge and requires careful post-processing "(Shinoda)"_#Shinoda
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6.19 Library interface to LAMMPS :link(howto_19),h4
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As described in "Section_start 5"_Section_start.html#start_5, LAMMPS
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As described in "Section 2.5"_Section_start.html#start_5, LAMMPS
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can be built as a library, so that it can be called by another code,
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used in a "coupled manner"_Section_howto.html#howto_10 with other
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codes, or driven through a "Python interface"_Section_python.html.
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@ -2212,7 +2212,7 @@ Note that this compute allows the per-atom output of other
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"variables"_variable.html to be used to define chunk IDs for each
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atom. This means you can write your own compute or fix to output a
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per-atom quantity to use as chunk ID. See
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"Section_modify"_Section_modify.html of the documentation for how to
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"Section 10"_Section_modify.html of the documentation for how to
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do this. You can also define a "per-atom variable"_variable.html in
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the input script that uses a formula to generate a chunk ID for each
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atom.
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