Re: Thermodynamics with MCLR @ Expanded Temperatures


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Posted by Victor Oyeyemi on June 08, 2009 at 20:14:11:

In Reply to: Thermodynamics with MCLR @ Expanded Temperatures posted by Victor Oyeyemi on June 08, 2009 at 19:45:25:

: Hi Developers,

: I did an MCLR calculation to obtain thermodynamic properties, like free energy, and found that output only contains values at a few temperatures. How can I expand the number of temperature point, as well as the range of temperatures for which properties are computed?

: Thanks,
: Victor.

Never mind: I found I can make changes in thermodata.f.

Thanks.




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