To the LAMMPS developers,

I wonder if it is possible to add cosine and sine to the list of math

operations allowed under the 'compute' command?

Regards,

Zhun-Yong

To the LAMMPS developers,

I wonder if it is possible to add cosine and sine to the list of math

operations allowed under the 'compute' command?

Regards,

Zhun-Yong

To the LAMMPS developers,

dear zhun-yong,

I wonder if it is possible to add cosine and sine to the list of math

operations allowed under the 'compute' command?

you mean "variable equal" not "compute", right?

please try out the attached patch and let us know

if it works for you (the change is very straightforward

so i only verified that it compiles...).

is there need from anybody else to add other

similar (portable!) math functions?

it would be simpler to add this in one go than

incrementally add over time whenever somebody

has a request...

cheers,

axel.

var_sin_cos.diff.gz (1.22 KB)

Hi Axel,

Thanks for the prompt reply.

My bad. I really meant 'variable', not 'compute'. I actually did add

cos and sin (along with tan, acos, asin, atan and all other

single-argument C math functions) to the file variable.cpp. Is that

all that needs to be done to implement these functions? I've

recompiled the code and it works fine on my Ubuntu desktop.

Once again, thanks for the help.

Zhun-Yong

Hi Axel,

zhun-yong,

Thanks for the prompt reply.

My bad. I really meant 'variable', not 'compute'. I actually did add

cos and sin (along with tan, acos, asin, atan and all other

single-argument C math functions) to the file variable.cpp. Is that

i'm confused. if you already implemented them, why do

you ask to have them implemented in the first place?

all that needs to be done to implement these functions? I've

mostly, you have to adapt the documentation and send the resulting

file to steve so that the change can be included into the next

update, so that everybody benefits from your work and nobody

has to re-do it...

cheers,

axel.

Axel,

Sorry for the confusion. I asked for the math functions to be

implemented because I wasn't sure if what I had implement was correct

or would screw up the rest of LAMMPS. Maybe that wasn't exactly the

best way of asking for a second opinion on how things should have be

done.

Zhun-Yong

Axel,

Sorry for the confusion. I asked for the math functions to be

implemented because I wasn't sure if what I had implement was correct

or would screw up the rest of LAMMPS. Maybe that wasn't exactly the

best way of asking for a second opinion on how things should have be

done.

right. you could have just posted your implementation,

explain your concern, and ask for comments.

let us for a moment assume that this was something more

complicated to implement (it took me more time to write

the e-mail than to modify the code so i don't care).

how would _you_ feel in a case if somebody had asked

you to implement that feature and then, after you have

done it, you get told, "thanks, i had done it before,

i just wanted to see somebody else do it, so i can see

if i have done it correctly"?

axel.