write_dump, greater numerical precision on coord. and velocities

(Forgot the list)

Also I asked the precision question a few weeks back. Check out the format command in dump modify.

Also I asked the precision question a few weeks back. Check out the format
command in dump modify.

that is true, but you cannot apply it to the (non-canonical!)
write_dump command, since that is a one shot deal. internally it
creates a dump, dumps the current state and then deletes it, so there
is no dump id to modify. i had been wondering about how to implement
this feature, but i may have just seen a reasonably clean way. please
give me a little time and - knock on would - there may be an update
with the option to include the dump_modify features into write_dump.

axel.

Axel,

Thank you. I cannot code in C++ (I just started learning) and it may take me too long to implement such a feature.

Will you make an announcement if/when you make this available?

Regards,

Ross

Axel,

Thank you. I cannot code in C++ (I just started learning) and it may take me too long to implement such a feature.

you really don't need to know much C++ to do this. pretty much any
basic programming knowledge and a little bit of common sense should
do. this file is really teeny and easy to understand except for the
preprocessor magic, which doesn't need to be touched, though.

Will you make an announcement if/when you make this available?

it is here:
http://git.icms.temple.edu/git/?p=lammps-icms.git;a=blob_plain;f=src/USER-COLVARS/write_dump.cpp;hb=HEAD

i have introduced a keyword "modify". everything before this keyword
is sent to the dump command, everything after to dump_modify.

please let me know, if there are any problems.

axel.

Axel,

This sounds very useful, especially for viz purposes. Please release
it. Currently when I want to write a dump at some arbitrary point in a
script, I use the following trick:

dump foo all atom 1 dump.foo
run 0
undump foo

Aidan

Axel,

This sounds very useful, especially for viz purposes. Please release

sent the code to steve this morning after i added a doc page.

it. Currently when I want to write a dump at some arbitrary point in a
script, I use the following trick:

and you could also call dump image directly... that is what i use this
the most for, e.g. when debugging inputs.

axel.