From ca0c3cbe3e60a5d3dde37ead663564623c40b3e6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 16 May 2014 22:06:33 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12001 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_howto.html | 5 +++++ doc/Section_howto.txt | 5 +++++ doc/thermo_style.html | 30 +++++++++++++++--------------- doc/thermo_style.txt | 30 +++++++++++++++--------------- 4 files changed, 40 insertions(+), 30 deletions(-) diff --git a/doc/Section_howto.html b/doc/Section_howto.html index aeb21782fa..2f1dad4d54 100644 --- a/doc/Section_howto.html +++ b/doc/Section_howto.html @@ -1483,6 +1483,10 @@ as input to other output commands.

Fixes that process output quantities
+

The fix vector command can create global vectors as +output from global scalars as input, accumulating them one element at +a time. +

The fix ave/atom command performs time-averaging of per-atom vectors. The per-atom quantities can be atom attributes such as position, velocity, force. They can also be per-atom @@ -1559,6 +1563,7 @@ vector input could be a column of an array. compute property/atom per-atom vectors per-atom vector/array compute property/local local vectors local vector/array compute atom/molecule per-atom vectors global vector/array +fix vector global scalars global vector fix ave/atom per-atom vectors per-atom vector/array fix ave/time global scalars/vectors global scalar/vector/array, file fix ave/spatial per-atom vectors global array, file diff --git a/doc/Section_howto.txt b/doc/Section_howto.txt index ea8a0024dc..b5f9b5eb21 100644 --- a/doc/Section_howto.txt +++ b/doc/Section_howto.txt @@ -1472,6 +1472,10 @@ as input to other output commands. Fixes that process output quantities :h5,link(fixoutput) +The "fix vector"_fix_vector.html command can create global vectors as +output from global scalars as input, accumulating them one element at +a time. + The "fix ave/atom"_fix_ave_atom.html command performs time-averaging of per-atom vectors. The per-atom quantities can be atom attributes such as position, velocity, force. They can also be per-atom @@ -1547,6 +1551,7 @@ Command: Input: Output: "compute property/atom"_compute_property_atom.html: per-atom vectors: per-atom vector/array: "compute property/local"_compute_property_local.html: local vectors: local vector/array: "compute atom/molecule"_compute_atom_molecule.html: per-atom vectors: global vector/array: +"fix vector"_fix_vector.html: global scalars: global vector: "fix ave/atom"_fix_ave_atom.html: per-atom vectors: per-atom vector/array: "fix ave/time"_fix_ave_time.html: global scalars/vectors: global scalar/vector/array, file: "fix ave/spatial"_fix_ave_spatial.html: per-atom vectors: global array, file: diff --git a/doc/thermo_style.html b/doc/thermo_style.html index f8c8030406..beaa64e33f 100644 --- a/doc/thermo_style.html +++ b/doc/thermo_style.html @@ -21,21 +21,21 @@

  one args = none
   multi args = none
-  custom args = list of attributes
-    possible attributes = step, elapsed, elaplong, dt, time,
-                          cpu, tpcpu, spcpu, cpuremain, part,
-                          atoms, temp, press, pe, ke, etotal, enthalpy,
-                          evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
-                          emol, elong, etail,
-                          vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
-			  xy, xz, yz, xlat, ylat, zlat,
-                          bonds, angles, dihedrals, impropers,
-			  pxx, pyy, pzz, pxy, pxz, pyz,
-			  fmax, fnorm,
-			  cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
-			  c_ID, c_ID[I], c_ID[I][J],
-                          f_ID, f_ID[I], f_ID[I][J],
-                          v_name
+  custom args = list of keywords
+    possible keywords = step, elapsed, elaplong, dt, time,
+                        cpu, tpcpu, spcpu, cpuremain, part,
+                        atoms, temp, press, pe, ke, etotal, enthalpy,
+                        evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
+                        emol, elong, etail,
+                        vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
+		        xy, xz, yz, xlat, ylat, zlat,
+                        bonds, angles, dihedrals, impropers,
+		        pxx, pyy, pzz, pxy, pxz, pyz,
+			fmax, fnorm,
+			cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
+			c_ID, c_ID[I], c_ID[I][J],
+                        f_ID, f_ID[I], f_ID[I][J],
+                        v_name
       step = timestep
       elapsed = timesteps since start of this run
       elaplong = timesteps since start of initial run in a series of runs
diff --git a/doc/thermo_style.txt b/doc/thermo_style.txt
index f0adef0ab2..633c46309e 100644
--- a/doc/thermo_style.txt
+++ b/doc/thermo_style.txt
@@ -16,21 +16,21 @@ style = {one} or {multi} or {custom} :ulb,l
 args = list of arguments for a particular style :l
   {one} args = none
   {multi} args = none
-  {custom} args = list of attributes
-    possible attributes = step, elapsed, elaplong, dt, time,
-                          cpu, tpcpu, spcpu, cpuremain, part,
-                          atoms, temp, press, pe, ke, etotal, enthalpy,
-                          evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
-                          emol, elong, etail,
-                          vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
-			  xy, xz, yz, xlat, ylat, zlat,
-                          bonds, angles, dihedrals, impropers,
-			  pxx, pyy, pzz, pxy, pxz, pyz,
-			  fmax, fnorm,
-			  cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
-			  c_ID, c_ID\[I\], c_ID\[I\]\[J\],
-                          f_ID, f_ID\[I\], f_ID\[I\]\[J\],
-                          v_name
+  {custom} args = list of keywords
+    possible keywords = step, elapsed, elaplong, dt, time,
+                        cpu, tpcpu, spcpu, cpuremain, part,
+                        atoms, temp, press, pe, ke, etotal, enthalpy,
+                        evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
+                        emol, elong, etail,
+                        vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
+		        xy, xz, yz, xlat, ylat, zlat,
+                        bonds, angles, dihedrals, impropers,
+		        pxx, pyy, pzz, pxy, pxz, pyz,
+			fmax, fnorm,
+			cella, cellb, cellc, cellalpha, cellbeta, cellgamma,
+			c_ID, c_ID\[I\], c_ID\[I\]\[J\],
+                        f_ID, f_ID\[I\], f_ID\[I\]\[J\],
+                        v_name
       step = timestep
       elapsed = timesteps since start of this run
       elaplong = timesteps since start of initial run in a series of runs