Hi, does Lammps support outputting to the binary NetCDF format? From my initial investigations it doesn't seem like this is supported yet?
Anthony
I wrote a postprocessing script which will convert lammps binary to hdf...
This did the job for me in the first iteration. I'll write an output plugin
in C asap...
/G
Hi, does Lammps support outputting to the binary NetCDF format? From my
initial investigations it doesn't seem like this is supported yet?
hi anthony,
no, it doesn't. in any case NetCDF is only a "container" format
and one would have to implement a specific "style" on top of it.
can you give us a specific motivation for needing NetCDF?
LAMMPS supports several binary formats (native, DCD, XTC)
already. do you need anything that those cannot provide?
cheers,
axel.
I'm primarily interested in dumping a number of fixes and variables out alongside the trajectories...
XTC looks close to what I need, being a portable binary format as well - but it doesn't seem to support per atom properties in the same file?
Anthony
Hi Anthony,
Have a look at my hdf5 postprocessing stuff...
/G
I'm primarily interested in dumping a number of fixes and variables out
alongside the trajectories...
...and i assume, you'd like to do this in binary for efficiency
reasons (storage and speed). otherwise, it is probably best to
stick to text format.
XTC looks close to what I need, being a portable binary format as well - but
it doesn't seem to support per atom properties in the same file?
right. you could use the LAMMPS custom binary dump format. even though
this is not encoded, it should be pretty straightforward to read it with
an equivalent c code, modeled after the dump_custom.{cpp,h} files.
cheers,
axel.