hello dear
i have a question.there is a site http://webbook.nist.gov/chemistry/fluid/ which can give thermophysical properties of fluid systems .in this site we can compare the result of input code with the site’s result.in my input code i use fix npt :
fix 1 hydrogen shake 1e-6 500 0 m 1.0 a 1 #for hydrogen
fix 12 water npt temp 298 298 100.0 iso 0.0 0.0 1000.0
but in the site should be input:
T LOW ,T high,T increment,enter pressure in units.
i input these numbers :T low=100 ,T high=298,T increment=298,
enter pressure in units=0
are these numbers true.?(in lammps T start=298 ,T stop=298 ,T damp=100)
thanks
reguard
hello dear
i have a question.there is a site http://webbook.nist.gov/chemistry/fluid/
which can give thermophysical properties of fluid systems .in this site we
can compare the result of input code with the site's result.in my input code
i use fix npt :
fix 1 hydrogen shake 1e-6 500 0 m 1.0 a 1 #for hydrogen
fix 12 water npt temp 298 298 100.0 iso 0.0 0.0 1000.0
but in the site should be input:
T LOW ,T high,T increment,enter pressure in units.
i input these numbers :T low=100 ,T high=298,T increment=298,
enter pressure in units=0
are these numbers true.?(in lammps T start=298 ,T stop=298 ,T damp=100)
hmmm... depends. have you turned on the flux compensator?