C++ output in thermo

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1

Hi everybody,

I'd like to extend the code for outputting (by the thermo_style custom) some information calculated in a fix called "fix_information.cpp" during the runs.

Now I get an error

Thermo.cpp:XXX: "expected primary-expression before '->' token"

and I hope you can explain me what I did wrong:

I include the following lines:

Changes in thermo.h
...
private:
void compute_info1;

Changes in thermo.cpp
// --------------------------------------------------------------------
Void Thermo::parse_fields(char *str)
{
// customize a new keyword by adding to if statement

...
else if (strcmp(word,"info1")==0 {
Addfield("info1",&Thermo::compute_info1,FLOAT);
}
...
}

// --------------------------------------------------------------------
Int Thermo::evaluate_keyword(char *word, double *answer)
...
else if (strcomp(word,"info1")==0) {
compute_info1();
}

...
}

// --------------------------------------------------------------------
Void Thermo::compute_info1()
{
Line XXX: dvalue = Information->info1;
}

Thanks a lot in advance,
Kind regards,

Sebastian

2

Hi

Obviously "Information" is not know to the thermo class. Its no member of it or no local variable in the routine compute_info1().

Cheers
Christian

-------- Original-Nachricht --------

3

Hi everybody,

I'd like to extend the code for outputting (by the thermo_style custom) some information calculated in a fix called "fix_information.cpp" during the runs.

Now I get an error

Thermo.cpp:XXX: "expected primary-expression before '->' token"

and I hope you can explain me what I did wrong:

I include the following lines:

Changes in thermo.h
...
private:
void compute_info1;

Changes in thermo.cpp
// --------------------------------------------------------------------
Void Thermo::parse_fields(char *str)
{
// customize a new keyword by adding to if statement

...
else if (strcmp(word,"info1")==0 {
Addfield("info1",&Thermo::compute_info1,FLOAT);
}
...
}

// --------------------------------------------------------------------
Int Thermo::evaluate_keyword(char *word, double *answer)
...
else if (strcomp(word,"info1")==0) {
compute_info1();
}

...
}

// --------------------------------------------------------------------
Void Thermo::compute_info1()
{
Line XXX: dvalue = Information->info1;
}

Thanks a lot in advance,

sebastian,

this is not the way how this kind of information is
typically passed around. no modification to the
thermo class should be needed.

a fix can return a scalar or vector property and those properties
can be accessed via the f_fixname or f_fixname[1] f_fixname[2]
conventions. please check out:
http://lammps.sandia.gov/doc/Section_howto.html#howto_15

axel.