reformatted table for per-atom fields (8e32f623) · Commits · 郑智淋 / lammps

doc/src/read_data.rst

+51 −51

Original line number	Diff line number	Diff line
		@@ -571,56 +571,56 @@ appended to it, which indicate which image of a periodic simulation
		box the atom is in. These may be important to include for some kinds
		of analysis.

		+------------+---------------------------------------------------------------------------+
		\| angle \| atom-ID molecule-ID atom-type x y z \|
		+------------+---------------------------------------------------------------------------+
		\| atomic \| atom-ID atom-type x y z \|
		+------------+---------------------------------------------------------------------------+
		\| body \| atom-ID atom-type bodyflag mass x y z \|
		+------------+---------------------------------------------------------------------------+
		\| bond \| atom-ID molecule-ID atom-type x y z \|
		+------------+---------------------------------------------------------------------------+
		\| charge \| atom-ID atom-type q x y z \|
		+------------+---------------------------------------------------------------------------+
		\| dipole \| atom-ID atom-type q x y z mux muy muz \|
		+------------+---------------------------------------------------------------------------+
		\| dpd \| atom-ID atom-type theta x y z \|
		+------------+---------------------------------------------------------------------------+
		\| edpd \| atom-ID atom-type edpd_temp edpd_cv x y z \|
		+------------+---------------------------------------------------------------------------+
		\| electron \| atom-ID atom-type q spin eradius x y z \|
		+------------+---------------------------------------------------------------------------+
		\| ellipsoid \| atom-ID atom-type ellipsoidflag density x y z \|
		+------------+---------------------------------------------------------------------------+
		\| full \| atom-ID molecule-ID atom-type q x y z \|
		+------------+---------------------------------------------------------------------------+
		\| line \| atom-ID molecule-ID atom-type lineflag density x y z \|
		+------------+---------------------------------------------------------------------------+
		\| mdpd \| atom-ID atom-type rho x y z \|
		+------------+---------------------------------------------------------------------------+
		\| meso \| atom-ID atom-type rho e cv x y z \|
		+------------+---------------------------------------------------------------------------+
		\| molecular \| atom-ID molecule-ID atom-type x y z \|
		+------------+---------------------------------------------------------------------------+
		\| peri \| atom-ID atom-type volume density x y z \|
		+------------+---------------------------------------------------------------------------+
		\| smd \| atom-ID atom-type molecule volume mass kernel-radius
		contact-radius x0 y0 z0 x y z \|
		+------------+---------------------------------------------------------------------------+
		\| sphere \| atom-ID atom-type diameter density x y z \|
		+------------+---------------------------------------------------------------------------+
		\| spin \| atom-ID atom-type x y z spx spy spz sp \|
		+------------+---------------------------------------------------------------------------+
		\| tdpd \| atom-ID atom-type x y z cc1 cc2 ... ccNspecies \|
		+------------+---------------------------------------------------------------------------+
		\| template \| atom-ID molecule-ID template-index template-atom atom-type x y z \|
		+------------+---------------------------------------------------------------------------+
		\| tri \| atom-ID molecule-ID atom-type triangleflag density x y z \|
		+------------+---------------------------------------------------------------------------+
		\| wavepacket \| atom-ID atom-type charge spin eradius etag cs_re cs_im x y z \|
		+------------+---------------------------------------------------------------------------+
		\| hybrid \| atom-ID atom-type x y z sub-style1 sub-style2 ... \|
		+------------+---------------------------------------------------------------------------+
		.. list-table::

		* - angle
		- atom-ID molecule-ID atom-type x y z
		* - atomic
		- atom-ID atom-type x y z
		* - body
		- atom-ID atom-type bodyflag mass x y z
		* - bond
		- atom-ID molecule-ID atom-type x y z
		* - charge
		- atom-type q x y z
		* - dipole
		- atom-ID atom-type q x y z mux muy muz
		* - dpd
		- atom-ID atom-type theta x y z
		* - edpd
		- atom-ID atom-type edpd_temp edpd_cv x y z
		* - electron
		- atom-ID atom-type q spin eradius x y z
		* - ellipsoid
		- atom-ID atom-type ellipsoidflag density x y z
		* - full
		- atom-ID molecule-ID atom-type q x y z
		* - line
		- atom-ID molecule-ID atom-type lineflag density x y z
		* - mdpd
		- atom-ID atom-type rho x y z
		* - molecular
		- atom-ID molecule-ID atom-type x y z
		* - peri
		- atom-ID atom-type volume density x y z
		* - smd
		- atom-ID atom-type molecule volume mass kernel-radius contact-radius x0 y0 z0 x y z
		* - sph
		- atom-ID atom-type rho esph cv x y z
		* - sphere
		- atom-ID atom-type diameter density x y z
		* - spin
		- atom-ID atom-type x y z spx spy spz sp
		* - tdpd
		- atom-ID atom-type x y z cc1 cc2 ... ccNspecies
		* - template
		- atom-ID molecule-ID template-index template-atom atom-type x y z
		* - tri
		- atom-ID molecule-ID atom-type triangleflag density x y z
		* - wavepacket
		- atom-ID atom-type charge spin eradius etag cs_re cs_im x y z
		* - hybrid
		- atom-ID atom-type x y z sub-style1 sub-style2 ...

		The per-atom values have these meanings and units, listed alphabetically:

		@@ -633,7 +633,7 @@ The per-atom values have these meanings and units, listed alphabetically:
		* cv = heat capacity (need units) for SPH particles
		* density = density of particle (mass/distance\^3 or mass/distance\^2 or mass/distance units, depending on dimensionality of particle)
		* diameter = diameter of spherical atom (distance units)
		* e = energy (need units) for SPH particles
		* esph = energy (need units) for SPH particles
		* edpd_temp = temperature for eDPD particles (temperature units)
		* edpd_cv = volumetric heat capacity for eDPD particles (energy/temperature/volume units)
		* ellipsoidflag = 1 for ellipsoidal particles, 0 for point particles

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