Dump compute command

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.

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?


A backslash as it’s written in “displace/atom” isn’t allowed in the dump file’s name?


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.


Apparently not.

That is, if she has a directory named "displace".