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reformatted table for per-atom fields

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This commit is contained in:
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
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