$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.
==========================================================================
| Dr. Alexandre Bonvin | Phone: Int+41-1-632-5504 |
| Physical Chemistry, ETHZ | Fax: Int+41-1-632-1039 |
| Universitatstrasse 6 | Email: abonvin at igc.phys.chem.ethz.ch |
| 8092 Zurich, Switzerland | http://igc.chem.ethz.ch/abonvin |
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