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reformatted table for per-atom fields

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Steve Plimpton
2020-05-01 11:48:08 -06:00
parent a72f034b72
commit 8e32f623f1
1 changed files with 51 additions and 51 deletions
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102
doc/src/read_data.rst
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@ -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 box the atom is in. These may be important to include for some kinds
of analysis. of analysis.
+------------+---------------------------------------------------------------------------+ .. list-table::
| angle | atom-ID molecule-ID atom-type x y z |
+------------+---------------------------------------------------------------------------+ * - angle
| atomic | atom-ID atom-type x y z | - atom-ID molecule-ID atom-type x y z
+------------+---------------------------------------------------------------------------+ * - atomic
| body | atom-ID atom-type bodyflag mass x y z | - atom-ID atom-type x y z
+------------+---------------------------------------------------------------------------+ * - body
| bond | atom-ID molecule-ID atom-type x y z | - atom-ID atom-type bodyflag mass x y z
+------------+---------------------------------------------------------------------------+ * - bond
| charge | atom-ID atom-type q x y z | - atom-ID molecule-ID atom-type x y z
+------------+---------------------------------------------------------------------------+ * - charge
| dipole | atom-ID atom-type q x y z mux muy muz | - atom-type q x y z
+------------+---------------------------------------------------------------------------+ * - dipole
| dpd | atom-ID atom-type theta x y z | - atom-ID atom-type q x y z mux muy muz
+------------+---------------------------------------------------------------------------+ * - dpd
| edpd | atom-ID atom-type edpd_temp edpd_cv x y z | - atom-ID atom-type theta x y z
+------------+---------------------------------------------------------------------------+ * - edpd
| electron | atom-ID atom-type q spin eradius x y z | - atom-ID atom-type edpd_temp edpd_cv x y z
+------------+---------------------------------------------------------------------------+ * - electron
| ellipsoid | atom-ID atom-type ellipsoidflag density x y z | - atom-ID atom-type q spin eradius x y z
+------------+---------------------------------------------------------------------------+ * - ellipsoid
| full | atom-ID molecule-ID atom-type q x y z | - atom-ID atom-type ellipsoidflag density x y z
+------------+---------------------------------------------------------------------------+ * - full
| line | atom-ID molecule-ID atom-type lineflag density x y z | - atom-ID molecule-ID atom-type q x y z
+------------+---------------------------------------------------------------------------+ * - line
| mdpd | atom-ID atom-type rho x y z | - atom-ID molecule-ID atom-type lineflag density x y z
+------------+---------------------------------------------------------------------------+ * - mdpd
| meso | atom-ID atom-type rho e cv x y z | - atom-ID atom-type rho x y z
+------------+---------------------------------------------------------------------------+ * - molecular
| molecular | atom-ID molecule-ID atom-type x y z | - atom-ID molecule-ID atom-type x y z
+------------+---------------------------------------------------------------------------+ * - peri
| peri | atom-ID atom-type volume density x y z | - atom-ID atom-type volume density x y z
+------------+---------------------------------------------------------------------------+ * - smd
| smd | atom-ID atom-type molecule volume mass kernel-radius - atom-ID atom-type molecule volume mass kernel-radius contact-radius x0 y0 z0 x y z
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 | * - sphere
+------------+---------------------------------------------------------------------------+ - atom-ID atom-type diameter density x y z
| spin | atom-ID atom-type x y z spx spy spz sp | * - spin
+------------+---------------------------------------------------------------------------+ - atom-ID atom-type x y z spx spy spz sp
| tdpd | atom-ID atom-type x y z cc1 cc2 ... ccNspecies | * - 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 | * - 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 | * - 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 | * - 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 ... | * - hybrid
+------------+---------------------------------------------------------------------------+ - atom-ID atom-type x y z sub-style1 sub-style2 ...
The per-atom values have these meanings and units, listed alphabetically: 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 * 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) * 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) * 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_temp = temperature for eDPD particles (temperature units)
* edpd_cv = volumetric heat capacity for eDPD particles (energy/temperature/volume units) * edpd_cv = volumetric heat capacity for eDPD particles (energy/temperature/volume units)
* ellipsoidflag = 1 for ellipsoidal particles, 0 for point particles * ellipsoidflag = 1 for ellipsoidal particles, 0 for point particles