Dear Ahmed,
I encountered a problem using the TPI4P model. The error message is “ERROR: Expected floating point parameter in input script or data file”. I am confused of the message. Would you kind to give me some suggestions?
PS: The version of lammps I used is 4 Jan, 2010.
Attached are my input files for test. Any help would be most appreciated.
Best,
Jervis Chu
water.in (1.21 KB)
water.xrd (8.91 KB)
Dear Ahmed,
I encountered a problem using the TPI4P model. The error message is
"ERROR: Expected floating point parameter in input script or data
file". I am confused of the message. Would you kind to give me some
suggestions?
the message is correct. you have a text input where
the code expects a floating point number. your input file
is wrong. please note the difference in what arguments you
have to give to "pair_coeff" commands when you use
a regular pair style versus a hybrid pair style.
cheers,
axel.
pair_coeff 1 1 lj/cut/coul/long/tip4p 0.162750 3.16435
This comand is illegal when you're not running in pair hybrid mode.
Steve