Dear all,
I’ve written a simple fix just for learning the framework. In my header file I defined a method “double compute_scalar()” and in my corresponding *.cpp-file
I have
double FixMYFIX::compute_scalar()
{
return 10.0;
}
The compilation works fine, no errors, no warnings.
However, when I tell lammps to print the result of my fix to the thermo-output:
…
fix 5 testgroup myfix param1 param2 …
…
thermo_style custom step f_5 …
…
lammps always complains
“ERROR: Thermo fix does not compute scalar”
Have I missunderstood something?
best regards,
frank.