Add rst versions of new documentation (b9648884) · Commits · 郑智淋 / lammps

doc/src/Commands_compute.rst

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		@@ -222,7 +222,8 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
		* :doc:`group/group <compute_group_group>` - energy/force between two groups of atoms
		* :doc:`gyration <compute_gyration>` - radius of gyration of group of atoms
		* :doc:`gyration/chunk <compute_gyration_chunk>` - radius of gyration for each chunk
		* :doc:`gyration/shape <compute_gyration_shape>` - compute shape parameters from radius of gyration tensor
		* :doc:`gyration/shape <compute_gyration_shape>` - shape parameters from gyration tensor
		* :doc:`gyration/shape/chunk <compute_gyration_shape_chunk>` - shape parameters from gyration tensor for each chunk
		* :doc:`heat/flux <compute_heat_flux>` - heat flux through a group of atoms
		* :doc:`heat/flux/tally <compute_tally>` -
		* :doc:`hexorder/atom <compute_hexorder_atom>` - bond orientational order parameter q6

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		@@ -9,7 +9,7 @@ Syntax

		.. parsed-literal::

		compute ID group-ID gyration compute-ID
		compute ID group-ID gyration/shape compute-ID

		* ID, group-ID are documented in :doc:`compute <compute>` command
		* gyration/shape = style name of this compute command
		@@ -36,7 +36,9 @@ and the relative shape anisotropy, k:
		.. image:: Eqs/compute_shape_parameters.jpg
		:align: center

		where lx <= ly <= lz are the three eigenvalues of the gyration tensor.
		where lx <= ly <= lz are the three eigenvalues of the gyration tensor. A general description
		of these parameters is provided in :ref:`(Mattice) <Mattice1>` while an application to polymer systems
		can be found in :ref:`(Theodorou) <Theodorou1>`.
		The asphericity is always non-negative and zero only when the three principal
		moments are equal. This zero condition is met when the distribution of particles
		is spherically symmetric (hence the name asphericity) but also whenever the particle
		@@ -91,17 +93,17 @@ Related commands
		----------


		.. _Theodorou:
		.. _Mattice1:



		(Theodorou) Theodorou, Suter, Macromolecules, 18, 1206 (1985).
		(Mattice) Mattice, Suter, Conformational Theory of Large Molecules, Wiley, New York, 1994.

		.. _Mattice:
		.. _Theodorou1:



		(Mattice) Mattice, Suter, Conformational Theory of Large Molecules, Wiley, New York, 1994.
		(Theodorou) Theodorou, Suter, Macromolecules, 18, 1206 (1985).


		.. _lws: http://lammps.sandia.gov