git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9897 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/fix_gcmc.html

@@ -51,7 +51,7 @@
 <P><B>Examples:</B>
 </P>
 <PRE>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>
 <P><B>Description:</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:]

doc/thermo_style.html

@@ -22,7 +22,7 @@
 <PRE>  <I>one</I> args = none
   <I>multi</I> args = none
   <I>custom</I> 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 <A HREF = "run.html">run</A> for info on how to invoke a series
 runs that keep track of an initial starting time.  If these keywords
 are not used, then <I>elapsed</I> and <I>elaplong</I> are the same value.
 </P>
+<P>The <I>dt</I> keyword is the current timestep size in time
+<A HREF = "units.html">units</A>.  The <I>time</I> keyword is the current elapsed
+simulation time, also in time <A HREF = "units.html">units</A>, 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 <A HREF = "fix_dt_reset.html">fix
+dt/reset</A>) 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.
+</P>
 <P>The <I>cpu</I> keyword is elapsed CPU seconds since the beginning of this
 run.  The <I>tpcpu</I> and <I>spcpu</I> keywords are measures of how fast your
 simulation is currently running.  The <I>tpcpu</I> keyword is simulation

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