(b25125e5) · Commits · 郑智淋 / lammps

doc/Manual.html

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		@@ -238,23 +238,24 @@ it gives quick access to documentation for all LAMMPS commands.</p>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-colvars-package">4.17. USER-COLVARS package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-cuda-package">4.18. USER-CUDA package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-diffraction-package">4.19. USER-DIFFRACTION package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-drude-package">4.20. USER-DRUDE package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-eff-package">4.21. USER-EFF package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-fep-package">4.22. USER-FEP package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-h5md-package">4.23. USER-H5MD package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-intel-package">4.24. USER-INTEL package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-lb-package">4.25. USER-LB package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-mgpt-package">4.26. USER-MGPT package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-misc-package">4.27. USER-MISC package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-molfile-package">4.28. USER-MOLFILE package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-omp-package">4.29. USER-OMP package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-phonon-package">4.30. USER-PHONON package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qmmm-package">4.31. USER-QMMM package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qtb-package">4.32. USER-QTB package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-reaxc-package">4.33. USER-REAXC package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smd-package">4.34. USER-SMD package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smtbq-package">4.35. USER-SMTBQ package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-sph-package">4.36. USER-SPH package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-dpd-package">4.20. USER-DPD package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-drude-package">4.21. USER-DRUDE package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-eff-package">4.22. USER-EFF package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-fep-package">4.23. USER-FEP package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-h5md-package">4.24. USER-H5MD package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-intel-package">4.25. USER-INTEL package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-lb-package">4.26. USER-LB package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-mgpt-package">4.27. USER-MGPT package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-misc-package">4.28. USER-MISC package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-molfile-package">4.29. USER-MOLFILE package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-omp-package">4.30. USER-OMP package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-phonon-package">4.31. USER-PHONON package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qmmm-package">4.32. USER-QMMM package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qtb-package">4.33. USER-QTB package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-reaxc-package">4.34. USER-REAXC package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smd-package">4.35. USER-SMD package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smtbq-package">4.36. USER-SMTBQ package</a></li>
		<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-sph-package">4.37. USER-SPH package</a></li>
		</ul>
		</li>
		<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul>

doc/Section_packages.html

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doc/Section_packages.txt

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		@@ -201,6 +201,7 @@ USER-CG-CMM, coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style lj/sd
		USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (2), "fix colvars"_fix_colvars.html, USER/colvars, "colvars"_colvars, lib/colvars
		USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "Section accelerate"_accelerate_cuda.html, USER/cuda, -, lib/cuda
		USER-DIFFRACTION, virutal x-ray and electron diffraction, Shawn Coleman (ARL),"compute xrd"_compute_xrd.html, USER/diffraction, -, -
		USER-DPD, dissipative particle dynamics (DPD), Larentzos & Mattox & Brennan (5), src/USER-DPD/README, USER/dpd, -, -
		USER-DRUDE, Drude oscillators, Dequidt & Devemy & Padua (3), "tutorial"_tutorial_drude.html, USER/drude, -, -
		USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -
		USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "compute fep"_compute_fep.html, USER/fep, -, -
		@@ -245,6 +246,9 @@ Clermont-Ferrand) and co-authors Julien Devemy (CNRS) and Agilio Padua
		(4) The SMTBQ package was created by Nicolas Salles, Emile Maras,
		Olivier Politano, and Robert Tetot (LAAS-CNRS, France).

		(4) The USER-DPD package was created by James Larentzos, Timothy
		Mattox, and John Brennan (Army Research Lab (ARL) and Engility Corp).

		If the Library is not listed as lib/package, then it is a third-party
		library not included in the LAMMPS distribution. See the
		src/package/Makefile.lammps file for info on where to download the
		@@ -455,6 +459,33 @@ Arkansas. Contact him directly if you have questions.

		:line

		USER-DPD package :h4

		This package implements the dissipative particle dynamics (DPD) method
		under isothermal, isoenergetic, isobaric and isenthalpic conditions.
		The DPD equations of motion are integrated efficiently through the
		Shardlow splitting algorithm.

		See these doc pages and their related commands to get started:

		"compute dpd"_compute_dpd.html
		"compute dpd/atom"_compute_dpd_atom.html
		"fix_eos/cv"_fix_eos_table.html
		"fix_eos/table"_fix_eos_table.html
		"fix_shardlow"_fix_shardlow.html
		"pair_dpd/conservative"_pair_dpd_conservative.html
		"pair_dpd/fdt"_pair_dpd_fdt.html
		"pair_dpd/fdt/energy"_pair_dpd_fdt.html :ul

		There are example scripts for using this package in examples/USER/dpd.

		The people who created this package are James Larentzos
		(james.p.larentzos.civ at mail.mil), Timothy Mattox (Timothy.Mattox at
		engilitycorp.com) and John Brennan (john.k.brennan.civ at mail.mil).
		Contact them directly if you have questions.

		:line

		USER-DRUDE package :h4

		This package implements methods for simulating polarizable systems

doc/_sources/Section_packages.txt

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		@@ -246,6 +246,8 @@ The current list of user-contributed packages is as follows:
		+------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+----------------------+-------------+
		\| USER-DIFFRACTION \| virutal x-ray and electron diffraction \| Shawn Coleman (ARL) \| :doc:`compute xrd <compute_xrd>` \| USER/diffraction \| - \| - \|
		+------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+----------------------+-------------+
		\| USER-DPD \| dissipative particle dynamics (DPD) \| Larentzos & Mattox & Brennan (5) \| src/USER-DPD/README \| USER/dpd \| - \| - \|
		+------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+----------------------+-------------+
		\| USER-DRUDE \| Drude oscillators \| Dequidt & Devemy & Padua (3) \| :doc:`tutorial <tutorial_drude>` \| USER/drude \| - \| - \|
		+------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+----------------------+-------------+
		\| USER-EFF \| electron force field \| Andres Jaramillo-Botero (Caltech) \| :doc:`pair_style eff/cut <pair_eff>` \| USER/eff \| `eff <eff_>`_ \| - \|
		@@ -324,6 +326,9 @@ Clermont-Ferrand) and co-authors Julien Devemy (CNRS) and Agilio Padua
		(4) The SMTBQ package was created by Nicolas Salles, Emile Maras,
		Olivier Politano, and Robert Tetot (LAAS-CNRS, France).

		(4) The USER-DPD package was created by James Larentzos, Timothy
		Mattox, and John Brennan (Army Research Lab (ARL) and Engility Corp).

		If the Library is not listed as lib/package, then it is a third-party
		library not included in the LAMMPS distribution. See the
		src/package/Makefile.lammps file for info on where to download the
		@@ -557,6 +562,36 @@ Arkansas. Contact him directly if you have questions.
		----------


		USER-DPD package
		----------------

		This package implements the dissipative particle dynamics (DPD) method
		under isothermal, isoenergetic, isobaric and isenthalpic conditions.
		The DPD equations of motion are integrated efficiently through the
		Shardlow splitting algorithm.

		See these doc pages and their related commands to get started:

		* :doc:`compute dpd <compute_dpd>`
		* :doc:`compute dpd/atom <compute_dpd_atom>`
		* :doc:`fix_eos/cv <fix_eos_table>`
		* :doc:`fix_eos/table <fix_eos_table>`
		* :doc:`fix_shardlow <fix_shardlow>`
		* :doc:`pair_dpd/conservative <pair_dpd_conservative>`
		* :doc:`pair_dpd/fdt <pair_dpd_fdt>`
		* :doc:`pair_dpd/fdt/energy <pair_dpd_fdt>`

		There are example scripts for using this package in examples/USER/dpd.

		The people who created this package are James Larentzos
		(james.p.larentzos.civ at mail.mil), Timothy Mattox (Timothy.Mattox at
		engilitycorp.com) and John Brennan (john.k.brennan.civ at mail.mil).
		Contact them directly if you have questions.


		----------


		USER-DRUDE package
		------------------

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