I can’t get this to work. I get “Dump custom compute does not calculate per-atom vector”, which is not true according to the website.
Thanks,
Anne
in.galliumsim (494 Bytes)
"dump myDump all custom 100 displace/atom c_dis1"
This is still wrong. What is "displace/atom" doing in the dump command?
R.
A backslash as it’s written in “displace/atom” isn’t allowed in the dump file’s name?
v/r,
Apparently not.
But the error is somewhere else.
Annie, the compute calculates a "per-atom array" not a "per-atom
vector". You need brackets in the dump command to access the per-atom
array calculated by the compute, which according to the compute
displace/atom doc page, has 4 columns.
R.
Apparently not.
That is, if she has a directory named "displace".