values of $temp

abonvin abonvin at igc.phys.chem.ethz.ch
Wed Oct 16 03:39:25 EST 1996


$temp contain the current system temparature, which can differ from the 
reference temperature, in this case $bath. It is defined once a dynamic step
is performed.

Cheers
Alexandre
 
>Dear X-PLOR users:
>	In the tutorial file sa.inp, there are some statements like this:
>
>    evaluate ($critical=$temp/$bath)
>    if ($critical > 10.) then
>       display ***&&& return job with smaller timestep (i.e., 0.003)
>       stop
>    end if
>
>I am wondering what is the value of $temp.  When the system is cooling from
>1000 k to 100 k, the value of $critical at different $bath is:
>
>$tbath   = 950      900        850            100
>$critical= 1.00492  0.997249   0.970049  .... 0.992138
>
>Apparently, the value of $temp is changing. Can anyone tell me what does $temp means.  

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