From 732d9d751789592167776c73d4c216bc667dfde4 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 23 May 2013 17:40:38 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9897 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_gcmc.html | 2 +- doc/fix_gcmc.txt | 2 +- doc/thermo_style.html | 12 +++++++++++- doc/thermo_style.txt | 12 +++++++++++- 4 files changed, 24 insertions(+), 4 deletions(-) diff --git a/doc/fix_gcmc.html b/doc/fix_gcmc.html index c8a38e8125..4be3248a44 100644 --- a/doc/fix_gcmc.html +++ b/doc/fix_gcmc.html @@ -51,7 +51,7 @@

Examples: 

fix 2 gas gcmc 10 1000 1000 2 29494 298.0 -0.5 0.01
-fix 3 Kr gcmc 10 100 100 1 3456543 3.0 -2.5 0.1 molecule yes maxrot 180
+fix 3 Kr gcmc 10 100 100 1 3456543 3.0 -2.5 0.1 molecule yes maxangle 180
 fix 4 my_gas gcmc 1 10 10 1 123456543 300.0 -12.5 1.0 region disk

Description: diff --git a/doc/fix_gcmc.txt b/doc/fix_gcmc.txt index 02f8791055..1f7af8d7a9 100644 --- a/doc/fix_gcmc.txt +++ b/doc/fix_gcmc.txt @@ -35,7 +35,7 @@ keyword = {molecule}, {region}, {maxangle}, {pressure}, or {fugacity_coeff} :l [Examples:] fix 2 gas gcmc 10 1000 1000 2 29494 298.0 -0.5 0.01 -fix 3 Kr gcmc 10 100 100 1 3456543 3.0 -2.5 0.1 molecule yes maxrot 180 +fix 3 Kr gcmc 10 100 100 1 3456543 3.0 -2.5 0.1 molecule yes maxangle 180 fix 4 my_gas gcmc 1 10 10 1 123456543 300.0 -12.5 1.0 region disk :pre [Description:] diff --git a/doc/thermo_style.html b/doc/thermo_style.html index 8641eb138f..78bcc3038e 100644 --- a/doc/thermo_style.html +++ b/doc/thermo_style.html @@ -22,7 +22,7 @@ 

  one args = none
   multi args = none
   custom args = list of attributes
-    possible attributes = step, elapsed, elaplong, dt, cpu, tpcpu, spcpu,
+    possible attributes = step, elapsed, elaplong, dt, time, cpu, tpcpu, spcpu,
                           atoms, temp, press, pe, ke, etotal, enthalpy,
                           evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
                           emol, elong, etail,
@@ -38,6 +38,7 @@
       elapsed = timesteps since start of this run
       elaplong = timesteps since start of initial run in a series of runs
       dt = timestep size
+      time = simulation time
       cpu = elapsed CPU time in seconds
       tpcpu = time per CPU second
       spcpu = timesteps per CPU second
@@ -213,6 +214,15 @@ keywords for the run for info on how to invoke a series
 runs that keep track of an initial starting time.  If these keywords
 are not used, then elapsed and elaplong are the same value.
 

+
The dt keyword is the current timestep size in time
+units.  The time keyword is the current elapsed
+simulation time, also in time units, which is simply
+(step*dt) if the timestep size has not changed and the timestep has
+not been reset.  If the timestep has changed (e.g. via fix
+dt/reset) or the timestep has been reset (e.g. via
+the "reset_timestep" command), then the simulation time is effectively
+a cummulative value up to the current point.
+

 
The cpu keyword is elapsed CPU seconds since the beginning of this
 run.  The tpcpu and spcpu keywords are measures of how fast your
 simulation is currently running.  The tpcpu keyword is simulation
diff --git a/doc/thermo_style.txt b/doc/thermo_style.txt
index 0e77cb7287..29acefe6ab 100644
--- a/doc/thermo_style.txt
+++ b/doc/thermo_style.txt
@@ -17,7 +17,7 @@ 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, cpu, tpcpu, spcpu,
+    possible attributes = step, elapsed, elaplong, dt, time, cpu, tpcpu, spcpu,
                           atoms, temp, press, pe, ke, etotal, enthalpy,
                           evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
                           emol, elong, etail,
@@ -33,6 +33,7 @@ args = list of arguments for a particular style :l
       elapsed = timesteps since start of this run
       elaplong = timesteps since start of initial run in a series of runs
       dt = timestep size
+      time = simulation time
       cpu = elapsed CPU time in seconds
       tpcpu = time per CPU second
       spcpu = timesteps per CPU second
@@ -207,6 +208,15 @@ keywords for the "run"_run.html for info on how to invoke a series of
 runs that keep track of an initial starting time.  If these keywords
 are not used, then {elapsed} and {elaplong} are the same value.
 
+The {dt} keyword is the current timestep size in time
+"units"_units.html.  The {time} keyword is the current elapsed
+simulation time, also in time "units"_units.html, which is simply
+(step*dt) if the timestep size has not changed and the timestep has
+not been reset.  If the timestep has changed (e.g. via "fix
+dt/reset"_fix_dt_reset.html) or the timestep has been reset (e.g. via
+the "reset_timestep" command), then the simulation time is effectively
+a cummulative value up to the current point.
+
 The {cpu} keyword is elapsed CPU seconds since the beginning of this
 run.  The {tpcpu} and {spcpu} keywords are measures of how fast your
 simulation is currently running.  The {tpcpu} keyword is simulation