forked from lijiext/lammps
delete empty lines at the end of files
This commit is contained in:
Axel Kohlmeyer
parent
ce10fd01a8
commit
cdf2f66c0a
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@ -21,5 +21,3 @@ as described on the :doc:`Install <Install>` doc page.
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Build_extras
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Build_windows
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Build_development
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@ -430,5 +430,3 @@ you want to copy files to is protected.
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There is no "install" option in the src/Makefile for LAMMPS. If you
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wish to do this you will need to first build LAMMPS, then manually
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copy the desired LAMMPS files to the appropriate system directories.
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@ -238,5 +238,3 @@ enough version, you can download the latest version at
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`https://cmake.org/download/ <https://cmake.org/download/>`_.
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Instructions on how to install it on various platforms can be found
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`on this page <https://cmake.org/install/>`_.
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@ -112,6 +112,3 @@ These reports require GCOVR to be installed. The easiest way to do this to insta
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.. parsed-literal::
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pip install git+https://github.com/gcovr/gcovr.git
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@ -1414,5 +1414,3 @@ the settings are not valid for your system, check if one of the other
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lib/vtk/Makefile.lammps.\* files is compatible and copy it to
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Makefile.lammps. If none of the provided files work, you will need to
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edit the Makefile.lammps file. See lib/vtk/README for details.
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@ -84,5 +84,3 @@ See the sample codes in examples/COUPLE/simple for examples of C++ and
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C and Fortran codes that invoke LAMMPS through its library interface.
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Other examples in the COUPLE directory use coupling ideas discussed on
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the :doc:`Howto couple <Howto_couple>` doc page.
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@ -87,5 +87,3 @@ settings may become outdated:
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make kokkos_omp # build with the KOKKOS package for OpenMP
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make kokkos_cuda_mpi # build with the KOKKOS package for GPUs
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make kokkos_phi # build with the KOKKOS package for KNLs
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@ -258,5 +258,3 @@ sub-directories with src files.
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Type "make package-diff" to list all differences between pairs of
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files in both the src dir and a package dir.
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@ -488,5 +488,3 @@ e.g. to Python.
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.. parsed-literal::
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LMP_INC = -DLAMMPS_EXCEPTIONS
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@ -104,5 +104,3 @@ Support for the Visual C++ compilers is currently not available. The
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CMake build system is capable of creating suitable a Visual Studio
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style build environment, but the LAMMPS code itself is not fully ported
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to support Visual C++. Volunteers to take on this task are welcome.
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@ -136,4 +136,3 @@ An alphabetic list of all general LAMMPS commands.
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* :doc:`write_data <write_data>`
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* :doc:`write_dump <write_dump>`
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* :doc:`write_restart <write_restart>`
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@ -163,4 +163,3 @@ KOKKOS, o = USER-OMP, t = OPT.
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* :doc:`vcm/chunk <compute_vcm_chunk>`
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* :doc:`voronoi/atom <compute_voronoi_atom>`
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* :doc:`xrd <compute_xrd>`
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@ -60,5 +60,3 @@ LAMMPS executable directly instead of having a separate tool. A
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combination of the commands :doc:`read_restart <read_restart>` and
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:doc:`write_data <write_data>` can be used to the same effect. For added
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convenience this conversion can also be triggered by :doc:`command line flags <Run_options>`
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@ -15,5 +15,3 @@ additional details for many of them.
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Errors_bugs
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Errors_messages
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Errors_warnings
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@ -25,5 +25,3 @@ causing the problem.
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.. note::
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this page needs to have GitHub issues info added
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@ -121,5 +121,3 @@ implementations handle buffering of messages. If the code hangs
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without an error message, it may be that you need to specify an MPI
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setting or two (usually via an environment variable) to enable
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buffering or boost the sizes of messages that can be buffered.
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@ -8415,7 +8415,3 @@ keyword to allow for additional bonds to be formed
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*Zero-length lattice orient vector*
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Self-explanatory.
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@ -796,7 +796,3 @@ This will most likely cause errors in kinetic fluctuations.
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*pair style reax is now deprecated and will soon be retired. Users should switch to pair\_style reax/c*
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Self-explanatory.
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@ -228,7 +228,3 @@ instructions. See the :doc:`Packages\_details <Packages_details>` doc
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page for more info on specific USER packages.
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.. _openkim: https://openkim.org
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@ -99,5 +99,3 @@ Packages howto
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Howto_drude2
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Howto_manifold
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Howto_spins
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@ -41,5 +41,3 @@ are for 2d models.
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and the *disc* option for the :doc:`fix nve/sphere <fix_nve_sphere>`,
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:doc:`fix nvt/sphere <fix_nvt_sphere>`, :doc:`fix nph/sphere <fix_nph_sphere>`, :doc:`fix npt/sphere <fix_npt_sphere>`
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commands.
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@ -61,5 +61,3 @@ explicitly via the :doc:`thermo_style custom <thermo_style>` command.
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Or you can use the :doc:`thermo_modify <thermo_modify>` command to
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re-define what pressure compute is used for default thermodynamic
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output.
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@ -284,5 +284,3 @@ the PATH variable should be
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This should give you a jump start when trying to run LAMMPS on Windows.
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To become effective in this environment I encourage you to look into Linux
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tutorials explaining Bash and Basic Unix commands (e.g., `Linux Journey <https://linuxjourney.com>`_)
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@ -144,5 +144,3 @@ Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995).
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**(Mayo)** Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
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(1990).
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@ -512,5 +512,3 @@ Particuology, 6, 455 (2008).
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**(Wang)** J. Wang, H. S. Yu, P. A. Langston, F. Y. Fraige, Granular
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Matter, 13, 1 (2011).
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@ -212,5 +212,3 @@ using the :doc:`fix ave/chunk <fix_ave_chunk>` command to calculate an
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average dipole moment vector for each bin. This example is explained
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on the :doc:`compute chunk/spread/atom <compute_chunk_spread_atom>`
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command doc page.
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@ -157,5 +157,3 @@ command-line option as their its option, where color is an integer
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label that will be used to distinguish one executable from another in
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the multiple executables that the mpirun command launches. In this
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example the client was colored with a 0, and the server with a 1.
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@ -264,5 +264,3 @@ The additional section in the date file would be formatted like this:
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**(Fincham)** Fincham, Mackrodt and Mitchell, J Phys Condensed Matter,
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6, 393-404 (1994).
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@ -118,5 +118,3 @@ instances of LAMMPS to perform different calculations.
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(4) Couple LAMMPS with another code in a client/server mode. This is
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described on the :doc:`Howto client/server <Howto_client_server>` doc
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page.
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@ -24,6 +24,3 @@ and thus extract D.
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----------
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@ -98,5 +98,3 @@ This can be achieved using the *kspace\_modify mix/disp none* command.
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Note that the code does not check automatically whether any mixing
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rule is fulfilled. If mixing rules do not apply, the user will have
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to specify this command explicitly.
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@ -65,5 +65,3 @@ too close, which can cause numerical issues.
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**(Lamoureux and Roux)** G. Lamoureux, B. Roux, J. Chem. Phys 119, 3025 (2003)
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@ -535,5 +535,3 @@ NPT ensemble using Nose-Hoover thermostat:
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**(SWM4-NDP)** Lamoureux, Harder, Vorobyov, Roux, MacKerell, Chem Phys
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Let, 418, 245-249 (2006)
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@ -42,5 +42,3 @@ converge and requires careful post-processing :ref:`(Shinoda) <Shinoda1>`
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**(Shinoda)** Shinoda, Shiga, and Mikami, Phys Rev B, 69, 134103 (2004).
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@ -492,5 +492,3 @@ and code checks to make sure they at the very least compile.
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A discussion of the LAMMPS developer GitHub workflow can be found in the file
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`doc/github-development-workflow.md <https://github.com/lammps/lammps/blob/master/doc/github-development-workflow.md>`_
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@ -48,5 +48,3 @@ computations between frozen atoms by using this command:
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will be the same as in 3d. If you wish to model granular particles in
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2d as 2d discs, see the note on this topic on the :doc:`Howto 2d <Howto_2d>`
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doc page, where 2d simulations are discussed.
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@ -79,5 +79,3 @@ formalism.
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**(Wirnsberger)** Wirnsberger, Frenkel, and Dellago, J Chem Phys, 143, 124104
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(2015).
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@ -245,5 +245,3 @@ lammps\_reset\_box()) to restore a previously extracted and saved state
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of a simulation. Additional properties for the new atoms can then be
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assigned via the lammps\_scatter\_atoms() or lammps\_extract\_atom()
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functions.
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@ -50,5 +50,3 @@ to the relevant fixes.
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**(Paquay)** Paquay and Kusters, Biophys. J., 110, 6, (2016).
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preprint available at `arXiv:1411.3019 <http://arxiv.org/abs/1411.3019/>`_.
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@ -96,5 +96,3 @@ on the 3 partitions one after the other until all were finished.
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Initially, 3 simulations would be started simultaneously, one on each
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partition. When one finished, that partition would then start
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the 4th simulation, and so forth, until all 8 were completed.
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@ -53,5 +53,3 @@ using the :doc:`fix flow/gauss <fix_flow_gauss>` command.
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**(Daivis and Todd)** Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
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Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
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@ -342,5 +342,3 @@ vector input could be a column of an array.
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+--------------------------------------------------------+----------------------------------------------+-------------------------------------------+
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| :doc:`fix store/state <fix_store_state>` | per-atom vectors | per-atom vector/array |
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+--------------------------------------------------------+----------------------------------------------+-------------------------------------------+
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@ -71,5 +71,3 @@ temperature is regulated using the velocities of the center of mass of
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core+shell (or Drude) pairs, but in the Drude model the actual
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relative core-Drude particle motion is thermostatted separately as
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well.
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@ -577,5 +577,3 @@ If you find this Python interface useful, please feel free to provide feedback
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and ideas on how to improve it to Richard Berger (richard.berger@temple.edu). We also
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want to encourage people to write tutorial style IPython notebooks showcasing LAMMPS usage
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and maybe their latest research results.
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@ -53,5 +53,3 @@ processors. Thus the above commands could be run on a
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single-processor (or few-processor) desktop so that you can run
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a multi-replica simulation on more replicas than you have
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physical processors.
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@ -98,5 +98,3 @@ commands since the new data file lists the force field coefficients.
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Also, the :doc:`reset_timestep <reset_timestep>` command is used to tell
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LAMMPS the current timestep. This value is stored in restart files,
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but not in data files.
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@ -50,5 +50,3 @@ Wikipedia also has a nice article on `water models <http://en.wikipedia.org/wiki
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**(Berendsen)** Berendsen, Grigera, Straatsma, J Phys Chem, 91,
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6269-6271 (1987).
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@ -236,5 +236,3 @@ as single particles, though they can store internal state, such as a
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list of sub-particles. Individual body particles are typically treated
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as rigid bodies, and their motion integrated with a command like :doc:`fix nve/body <fix_nve_body>`. Interactions between pairs of body
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particles are computed via a command like :doc:`pair_style body/nparticle <pair_body_nparticle>`.
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@ -66,5 +66,3 @@ magnetic spin, or the magnetic force acting on this spin.
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**(Tranchida)** Tranchida, Plimpton, Thibaudeau and Thompson,
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Journal of Computational Physics, 372, 406-425, (2018).
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@ -31,5 +31,3 @@ They both allow for velocity biases indirectly, via an optional extra
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argument which is another temperature compute that subtracts a
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velocity bias. This allows the translational velocity of spherical or
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aspherical particles to be adjusted in prescribed ways.
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@ -92,5 +92,3 @@ temperature compute is used for default thermodynamic output.
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**(Daivis and Todd)** Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
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Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
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@ -74,5 +74,3 @@ Phys, 79, 926 (1983).
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**(Price)** Price and Brooks, J Chem Phys, 121, 10096 (2004).
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@ -109,5 +109,3 @@ Wikipedia also has a nice article on `water models <http://en.wikipedia.org/wiki
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**(Jorgensen)** Jorgensen, Chandrasekhar, Madura, Impey, Klein, J Chem
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Phys, 79, 926 (1983).
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@ -211,4 +211,3 @@ material. The :doc:`fix deform <fix_deform>` command can be used for
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this purpose. It allows dynamic control of the xy, xz, yz tilt
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factors as a simulation runs. This is discussed in the next section
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on non-equilibrium MD (NEMD) simulations.
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@ -141,5 +141,3 @@ with time at sufficiently long times.
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**(Daivis and Todd)** Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
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Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
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@ -34,7 +34,3 @@ snapshots.
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.. _atomeye: http://mt.seas.upenn.edu/Archive/Graphics/A
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@ -69,5 +69,3 @@ The only frictional idealized walls currently in LAMMPS are flat or
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curved surfaces specified by the :doc:`fix wall/gran <fix_wall_gran>`
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command. At some point we plan to allow regoin surfaces to be used as
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frictional walls, as well as triangulated surfaces.
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@ -51,5 +51,3 @@ These are the files and sub-directories in the LAMMPS distribution:
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You will have all of these if you download source. You will only have
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some of them if you download executables, as explained on the pages
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listed above.
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@ -42,4 +42,3 @@ up the Conda capability.
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.. _conda: https://docs.conda.io/en/latest/index.html
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.. _mini_conda_install: https://docs.conda.io/en/latest/miniconda.html
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@ -121,5 +121,3 @@ The LAMMPS GitHub project is managed by Christoph Junghans (LANL,
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junghans at lanl.gov), Axel Kohlmeyer (Temple U, akohlmey at
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gmail.com) and Richard Berger (Temple U, richard.berger at
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temple.edu).
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@ -262,5 +262,3 @@ Alternatively, you may use an AUR helper to install these packages.
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Note that the AUR provides build-scripts that download the source and
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the build the package on your machine.
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@ -46,6 +46,3 @@ up the Homebrew capability.
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.. _openkim: https://openkim.org
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@ -61,5 +61,3 @@ up to date.
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sub-dir of src, then re-install the package. The version in the src
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dir is merely a copy and will be wiped out if you type "make
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package-update".
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@ -95,5 +95,3 @@ The LAMMPS GitHub project is managed by Christoph Junghans (LANL,
|
|||
junghans at lanl.gov), Axel Kohlmeyer (Temple U, akohlmey at
|
||||
gmail.com) and Richard Berger (Temple U, richard.berger at
|
||||
temple.edu).
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -77,5 +77,3 @@ The patch files are posted on the `bug and feature page <bug_>`_ of the
|
|||
website, along with a list of changed files and details about what is
|
||||
in the new patch release. Instructions for applying a patch file are
|
||||
on the :doc:`Install patch <Install_patch>` doc page.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -42,5 +42,3 @@ automatically, so this should only be done for debugging purposes.
|
|||
|
||||
Thanks to Axel Kohlmeyer (Temple U, akohlmey at gmail.com) for setting
|
||||
up this Windows capability.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -14,5 +14,3 @@ These pages provide a brief introduction to LAMMPS.
|
|||
Intro_opensource
|
||||
Intro_authors
|
||||
Intro_website
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -62,5 +62,3 @@ version of LAMMPS were the following:
|
|||
* Terry Stouch (Lexicon Pharmaceuticals, formerly at Bristol Myers Squibb)
|
||||
* Steve Lustig (Dupont)
|
||||
* Jim Belak and Roy Pollock (LLNL)
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -224,5 +224,3 @@ classical MD options:
|
|||
* :doc:`Lattice Boltzmann fluid <fix_lb_fluid>`
|
||||
* :doc:`targeted <fix_tmd>` and :doc:`steered <fix_smd>` molecular dynamics
|
||||
* :doc:`two-temperature electron model <fix_ttm>`
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -80,5 +80,3 @@ Here are suggestions on how to perform these tasks:
|
|||
simulations. It thus provides some functionality for several of the
|
||||
above bullets. Pizza.py is written in `Python <http://www.python.org>`_
|
||||
and is available for download from `this page <http://www.cs.sandia.gov/~sjplimp/download.html>`_.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -42,5 +42,3 @@ of the GPL.
|
|||
(4) If you give LAMMPS files to someone else, the GPL LICENSE file and
|
||||
source file headers (including the copyright and GPL notices) should
|
||||
remain part of the code.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -47,5 +47,3 @@ partition the simulation domain into small sub-domains of equal
|
|||
computational cost, one of which is assigned to each processor.
|
||||
Processors communicate and store "ghost" atom information for atoms
|
||||
that border their sub-domain.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -32,5 +32,3 @@ this Intr are included in this list.
|
|||
* `Authors of LAMMPS <http://lammps.sandia.gov/authors.html>`_
|
||||
* `History of LAMMPS development <http://lammps.sandia.gov/history.html>`_
|
||||
* `Funding for LAMMPS <http://lammps.sandia.gov/funding.html>`_
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -85,5 +85,3 @@ Indices and tables
|
|||
.. raw:: html
|
||||
|
||||
</BODY>
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -134,5 +134,3 @@ For converting the generated ePUB file to a MOBI format file
|
|||
also need to have the 'ebook-convert' tool from the "calibre"
|
||||
software installed. `http://calibre-ebook.com/ <http://calibre-ebook.com/>`_
|
||||
You first create the ePUB file and then convert it with 'make mobi'
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -21,5 +21,3 @@ first page of the :doc:`manual <Manual>`.
|
|||
describe the most current patch release of LAMMPS.
|
||||
* If you browse the HTML doc pages included in your tarball, they
|
||||
describe the version you have, which may be older.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -33,5 +33,3 @@ as a pull request on our `GitHub site <https://github.com/lammps/lammps>`_, afte
|
|||
Modify_body
|
||||
Modify_thermo
|
||||
Modify_variable
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -117,5 +117,3 @@ accessed using the returned index as
|
|||
|
||||
Ivector or dvector are vectors of length Nlocal = # of owned atoms,
|
||||
which store the attributes of individual atoms.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -33,5 +33,3 @@ class. See body.h for details.
|
|||
+----------------------+-----------------------------------------------------------+
|
||||
| unpack\_border\_body | unpacking of those attributes |
|
||||
+----------------------+-----------------------------------------------------------+
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -34,5 +34,3 @@ for details and specific additional methods.
|
|||
+-----------------------+---------------------------------------------------------------------------+
|
||||
| memory\_usage | tally memory allocated by the style (optional) |
|
||||
+-----------------------+---------------------------------------------------------------------------+
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -18,5 +18,3 @@ The single method your new class must define is as follows:
|
|||
|
||||
Of course, the new class can define other methods and variables as
|
||||
needed.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -55,5 +55,3 @@ each pair after force and energy has been computed for this pair. Then
|
|||
the tallied values are retrieved with the standard compute\_scalar or
|
||||
compute\_vector or compute\_peratom methods. The USER-TALLY package
|
||||
provides *examples*\ \_compute\_tally.html for utilizing this mechanism.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -196,5 +196,3 @@ Finally, as a general rule-of-thumb, the more clear and
|
|||
self-explanatory you make your documentation and README files, and the
|
||||
easier you make it for people to get started, e.g. by providing example
|
||||
scripts, the more likely it is that users will try out your new feature.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -30,5 +30,3 @@ new quantities to dump.
|
|||
Note that new keywords for atom properties are not typically
|
||||
added to the :doc:`dump custom <dump>` command. Instead they are added
|
||||
to the :doc:`compute property/atom <compute_property_atom>` command.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -151,5 +151,3 @@ command), the initial\_integrate, post\_force\_integrate, and
|
|||
final\_integrate\_respa methods can be implemented. The thermo method
|
||||
enables a fix to contribute values to thermodynamic output, as printed
|
||||
quantities and/or to be summed to the potential energy of the system.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -19,5 +19,3 @@ class. See kspace.h for details.
|
|||
+---------------+----------------------------------------------+
|
||||
| memory\_usage | tally of memory usage |
|
||||
+---------------+----------------------------------------------+
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -17,5 +17,3 @@ class. See min.h for details.
|
|||
+---------------+------------------------------------------+
|
||||
| memory\_usage | tally of memory usage |
|
||||
+---------------+------------------------------------------+
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -100,5 +100,3 @@ functionality:
|
|||
|
||||
|
||||
**(Foo)** Foo, Morefoo, and Maxfoo, J of Classic Potentials, 75, 345 (1997).
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -33,5 +33,3 @@ Here is a brief description of the class methods in pair.h:
|
|||
+---------------------------------+-------------------------------------------------------------------+
|
||||
|
||||
The inner/middle/outer routines are optional.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -20,5 +20,3 @@ class. See region.h for details.
|
|||
+-------------------+---------------------------------------------------------------------+
|
||||
| shape\_update | change region shape if set by time-dependent variable |
|
||||
+-------------------+---------------------------------------------------------------------+
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -25,5 +25,3 @@ for thermo output of quantities calculated by :doc:`fixes <fix>`,
|
|||
:doc:`computes <compute>`, and :doc:`variables <variable>`. Thus, it may
|
||||
be simpler to compute what you wish via one of those constructs, than
|
||||
by adding a new keyword to the thermo command.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -38,5 +38,3 @@ to find the appropriate location.
|
|||
|
||||
Adding new :doc:`compute styles <compute>` (whose calculated values can
|
||||
then be accessed by variables) is discussed on the :doc:`Modify compute <Modify_compute>` doc page.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -18,5 +18,3 @@ LAMMPS build process.
|
|||
Packages_standard
|
||||
Packages_user
|
||||
Packages_details
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -2446,5 +2446,3 @@ which discuss the `QuickFF <quickff_>`_ methodology.
|
|||
* :doc:`pair_style mm3/switch3/coulgauss/long <pair_mm3_switch3_coulgauss_long>`
|
||||
* :doc:`pair_style lj/switch3/coulgauss/long <pair_lj_switch3_coulgauss_long>`
|
||||
* examples/USER/yaff
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -89,5 +89,3 @@ package:
|
|||
+----------------------------------+--------------------------------------+----------------------------------------------------+-----------------------------------------------------+---------+
|
||||
| :ref:`VORONOI <PKG-VORONOI>` | Voronoi tesselation | :doc:`compute voronoi/atom <compute_voronoi_atom>` | n/a | ext |
|
||||
+----------------------------------+--------------------------------------+----------------------------------------------------+-----------------------------------------------------+---------+
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -114,4 +114,3 @@ package:
|
|||
|
||||
.. _MOFplus: https://www.mofplus.org/content/show/MOF-FF
|
||||
.. _PLUMED: http://www.plumed.org
|
||||
|
||||
|
|
|
|||
|
|
@ -77,5 +77,3 @@ If you want to write Python code with callbacks to LAMMPS, then you
|
|||
must also follow the steps summarized in the :doc:`Python run <Python_run>` doc page. I.e. you must build LAMMPS as a shared
|
||||
library and insure that Python can find the python/lammps.py file and
|
||||
the shared library.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -109,5 +109,3 @@ different visualization package options. Click to see larger images:
|
|||
|
||||
.. image:: JPG/screenshot_vmd_small.jpg
|
||||
:target: JPG/screenshot_vmd.jpg
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -42,5 +42,3 @@ interesting Python functions that can be called from a LAMMPS input
|
|||
script, that you think would be generally useful, please post them as
|
||||
a pull request to our `GitHub site <https://github.com/lammps/lammps>`_,
|
||||
and they can be added to the LAMMPS distribution or webpage.
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -68,5 +68,3 @@ the LAMMPS shared library (see :doc:`this section <Python_shlib>`), you will
|
|||
need to manually copy files like liblammps\_g++.so into the appropriate
|
||||
system directory. This is not needed if you set the LD\_LIBRARY\_PATH
|
||||
environment variable as described above.
|
||||
|
||||
|
||||
|
|
|
|||
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue