hi all user,
below is my dump file
hi all user,
below is my dump file
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1)
I don't want to print in my dump file from first line to 9th line i.e this
one
ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
512
ITEM: BOX BOUNDS pp pp pp
0.103605 10.3129
0.103605 10.3129
0.103605 10.3129
ITEM: ATOMS id type x y z c_pe c_1
is there any option to do this ??
no. why?
having a structured file format is generally considered a good thing.
2)
my last two column is c_pe is potential energy per atom and c_1 is
coordination number per atom. in coordination number there are some
4,5,3,6 are present. i need only 4 coordinated atom and corresponding to
its x,y,z coordinate or potential energy. so is there any option to do
this?
yes. see the dump_modify thresh command
axel.
you could also write a simple shell script
(split on TIMESTEP line, clip the head off
each resulting file, concat back together)
or a 10-line Python script that would massage
the dump file into the format you want.
Steve