Hi Steve et. al.
I have a feature request. Could the output of custom dump files have a header which describes the custom dump? As things stand, one needs to keep track of this info manually, and it can become error prone to do this if you often change the custom output.
I understand the desire to keep the dump file format backwards compatible, but it seems like there is no piece of the LAMMPS package itself which actually cares about dump files... only post-processing routines like pizza.py. Seems like if pizza was simultaneously updated, there would be no major conflicts. Maybe this might make problems for external software which reads LAMMPS format (e.g. VMD), but it seems like anything like that would only look at an atom dump and never a custom dump.
Thoughts?
--Craig
Hi Craig. Thank you for the suggestion --- it seems
like a good one to me. We'll certainly consider making
this change in an upcoming LAMMPS release.
Paul
Hi Steve et. al.
I have a feature request. Could the output of
custom dump files have
a header which describes the custom dump? As things
stand, one needs
to keep track of this info manually, and it can
become error prone to
do this if you often change the custom output.
I understand the desire to keep the dump file format
backwards
compatible, but it seems like there is no piece of
the LAMMPS package
itself which actually cares about dump files... only
post-processing
routines like pizza.py. Seems like if pizza was
simultaneously
updated, there would be no major conflicts. Maybe
this might make
problems for external software which reads LAMMPS
format (e.g. VMD),
but it seems like anything like that would only look
at an atom dump
and never a custom dump.
Thoughts?
--Craig
Using Tomcat but need to do more? Need to support
web services, security?
Get stuff done quickly with pre-integrated
technology to make your job easier
Download IBM WebSphere Application Server v.1.0.1
based on Apache Geronimo
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642
_______________________________________________
lammps-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/lammps-users