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Tweaked explanation of output for executed events 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5574 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2011-01-24 18:37:03 +00:00
parent 5e7176d18d
commit 5fb239dcf5
2 changed files with 15 additions and 3 deletions
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10
doc/tad.html
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@ -195,9 +195,15 @@ is a counter that resets to zero upon entering each new basin.
The event status is <I>E</I> when an event is executed, and
is <I>D</I> for an event that is detected, while <I>DF</I> is for a detected
event that is also the earliest (first) event at the low temperature.
The time margin is the ratio of the high temperature time in the current
</P>
<P>The time margin is the ratio of the high temperature time in the current
basin to the stopping time. This last number can be used to judge
whether the stopping time is too short or too long (see above).
whether the stopping time is too short or too long (see above).
</P>
<P>On lines for executed events, with status <I>E</I>, the global event number is
incremented by one, and the timestep, clock, local event number,
and energy barrier match the last event with status <I>DF</I> in the
immediately preceding block of detected events.
</P>
<P>The NEB statistics are written to the file specified by the <I>neb_log</I>
keyword. If the keyword value is "none", then no NEB statistics are

8
doc/tad.txt
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@ -185,9 +185,15 @@ is a counter that resets to zero upon entering each new basin.
The event status is {E} when an event is executed, and
is {D} for an event that is detected, while {DF} is for a detected
event that is also the earliest (first) event at the low temperature.
The time margin is the ratio of the high temperature time in the current
basin to the stopping time. This last number can be used to judge
whether the stopping time is too short or too long (see above).
whether the stopping time is too short or too long (see above).
On lines for executed events, with status {E}, the global event number is
incremented by one, and the timestep, clock, local event number,
and energy barrier match the last event with status {DF} in the
immediately preceding block of detected events.
The NEB statistics are written to the file specified by the {neb_log}
keyword. If the keyword value is "none", then no NEB statistics are