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small formatting tweaks, add versionadded tag

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Axel Kohlmeyer
2025-01-08 20:35:08 -05:00
parent 02a8a9d706
commit 6a363d441b
1 changed files with 21 additions and 14 deletions
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doc/src/fix_imd.rst
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@ -27,8 +27,13 @@ Syntax
off = LAMMPS waits to be connected to an IMD client before continuing (default)
on = LAMMPS listens for an IMD client, but continues with the run
*version* arg = *2* or *3*
2 = use IMD version 2 (default)
3 = use IMD version 3. The subsequent keywords are only supported for version 3.
2 = use IMD protocol version 2 (default)
3 = use IMD protocol version 3.
The following keywords are only supported for IMD protocol version 3.
.. parsed-literal::
*time* arg = *on* or *off*
off = simulation time is not transmitted (default)
on = simulation time is transmitted.
@ -115,12 +120,14 @@ with different units or as a measure to tweak the forces generated by
the manipulation of the IMD client, this option allows to make
adjustments.
In `IMDv3 <IMDv3_>`_, the protocol has been extended to allow for the transmission
of simulation time, box dimensions, atomic coordinates, velocities, and
forces. The *version* keyword allows to select the version of the
protocol to be used. The *time*, *box*, *coordinates*, *velocities*,
and *forces* keywords allow to select which data is transmitted to the
IMD client. The default is to transmit all data.
.. versionadded:: TBD
In `IMDv3 <IMDv3_>`_, the IMD protocol has been extended to allow for
the transmission of simulation time, box dimensions, atomic coordinates,
velocities, and forces. The *version* keyword allows to select the
version of the protocol to be used. The *time*, *box*, *coordinates*,
*velocities*, and *forces* keywords allow to select which data is
transmitted to the IMD client. The default is to transmit all data.
To connect VMD to a listening LAMMPS simulation on the same machine
with fix imd enabled, one needs to start VMD and load a coordinate or
@ -179,14 +186,14 @@ This fix is part of the MISC package. It is only enabled if LAMMPS was
built with that package. See the :doc:`Build package <Build_package>`
page for more info.
When used in combination with VMD, a topology or coordinate file has
to be loaded, which matches (in number and ordering of atoms) the
group the fix is applied to. The fix internally sorts atom IDs by
ascending integer value; in VMD (and thus the IMD protocol) those will
be assigned 0-based consecutive index numbers.
When used in combination with VMD, a topology or coordinate file has to
be loaded, which matches (in number and ordering of atoms) the group the
fix is applied to. The fix internally sorts atom IDs by ascending
integer value; in VMD (and thus the IMD protocol) those will be assigned
0-based consecutive index numbers.
When using multiple active IMD connections at the same time, each
needs to use a different port number.
fix instance needs to use a different port number.
Related commands
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