From 5fb239dcf5ab7e232abbd81eaa1a21788b7821b5 Mon Sep 17 00:00:00 2001 From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa> Date: Mon, 24 Jan 2011 18:37:03 +0000 Subject: [PATCH] Tweaked explanation of output for executed events git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5574 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/tad.html | 10 ++++++++-- doc/tad.txt | 8 +++++++- 2 files changed, 15 insertions(+), 3 deletions(-) diff --git a/doc/tad.html b/doc/tad.html index f81bfe265c..37c19e7213 100644 --- a/doc/tad.html +++ b/doc/tad.html @@ -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 diff --git a/doc/tad.txt b/doc/tad.txt index c81023e32a..da545328de 100644 --- a/doc/tad.txt +++ b/doc/tad.txt @@ -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