Loading doc/tad.html +7 −4 Original line number Diff line number Diff line Loading @@ -203,9 +203,12 @@ exponential factor that depends on the hi/lo temperature ratio and the energy barrier for that event. </P> <P>On lines for executed events, with status <I>E</I>, the global event number is incremented by one, and the timestep, local event number, energy barrier, <I>t_lo</I>, and <I>delt_lo</I> match the last event with status <I>DF</I> is incremented by one, the local event number and time margin are reset to zero, while the global event number, energy barrier, and <I>delt_lo</I> match the last event with status <I>DF</I> in the immediately preceding block of detected events. The low-temperature event time <I>t_lo</I> is incremented by <I>delt_lo</I>. </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 Loading doc/tad.txt +8 −4 Original line number Diff line number Diff line Loading @@ -193,9 +193,13 @@ exponential factor that depends on the hi/lo temperature ratio and the energy barrier for that event. On lines for executed events, with status {E}, the global event number is incremented by one, and the timestep, local event number, energy barrier, {t_lo}, and {delt_lo} match the last event with status {DF} is incremented by one, the local event number and time margin are reset to zero, while the global event number, energy barrier, and {delt_lo} match the last event with status {DF} in the immediately preceding block of detected events. The low-temperature event time {t_lo} is incremented by {delt_lo}. 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 Loading Loading
doc/tad.html +7 −4 Original line number Diff line number Diff line Loading @@ -203,9 +203,12 @@ exponential factor that depends on the hi/lo temperature ratio and the energy barrier for that event. </P> <P>On lines for executed events, with status <I>E</I>, the global event number is incremented by one, and the timestep, local event number, energy barrier, <I>t_lo</I>, and <I>delt_lo</I> match the last event with status <I>DF</I> is incremented by one, the local event number and time margin are reset to zero, while the global event number, energy barrier, and <I>delt_lo</I> match the last event with status <I>DF</I> in the immediately preceding block of detected events. The low-temperature event time <I>t_lo</I> is incremented by <I>delt_lo</I>. </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 Loading
doc/tad.txt +8 −4 Original line number Diff line number Diff line Loading @@ -193,9 +193,13 @@ exponential factor that depends on the hi/lo temperature ratio and the energy barrier for that event. On lines for executed events, with status {E}, the global event number is incremented by one, and the timestep, local event number, energy barrier, {t_lo}, and {delt_lo} match the last event with status {DF} is incremented by one, the local event number and time margin are reset to zero, while the global event number, energy barrier, and {delt_lo} match the last event with status {DF} in the immediately preceding block of detected events. The low-temperature event time {t_lo} is incremented by {delt_lo}. 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 Loading
