Dear all,
I am new to LAMMPS. Hence, the meaning of a particular command (say, some fix) is not directly clear in the first instance itself. It takes a number of trial-errors, and some visits and revisits to the manual for help.
It really helps to have a ready made script where a particular command is used, irrespective of the problem solved.
Could we come up with a way where we could search for the usage of a particular command in the available directories.
Regards,
You mean something like
grep “nve” examples//in.
or an exhaustive list of all commands available?
Dear all,
I am new to LAMMPS. Hence, the meaning of a particular command (say, some fix) is not directly clear in the first instance itself. It takes a number of trial-errors, and some visits and revisits to the manual for help.
which is quite natural in the process or learning. no pain, no gain!
it also highlights, how important it is to to build complex inputs as a beginner, but rather take it slow and come up with simpler simulations first and learn how to control those well first.
It really helps to have a ready made script where a particular command is used, irrespective of the problem solved.
i don’t fully agree with that assessment. it may get you over some initial barriers more quickly, but then you are more likely to make errors later along the way, when they have a more sever impact and going back and revisiting the documentation may be even more painful. LAMMPS is a large package with very flexible ways to combine many commands with others, so there can never be an exhaustive list of demonstrative examples. the number of permutation is just too large. we notice this all the time in the context of testing LAMMPS.
that said, the LAMMPS developers are not opposed to include more and more illustrative examples, but writing, discussing, and reviewing those takes time and effort. much more time than the core developers have, and while we require that no feature is added without proper documentation, it would turn away too many useful contributions, if we require examples with detailed comments and discussions as well. WYSIWYG!
so it comes down to other members of the LAMMPS community, and that means you as well, to fill in and providing more examples and commenting and explaining them as needed. we have had multiple attempts in the past to facilitate this, the return was always underwhelming, though. perhaps you can organize a more lasting and attractive effort.
axel.