Seeking help

Dear lammps,
        Thank you for the shared resources of molecular dynamics code,which is particularly helpful. Recently,a problem about electronic froce field has beening bothered me for a long time, and I have one question on my mind that how to output the radius,spin and radial velocity of electron.Here is my entire condition that I firstly installed a lammps of 2015 vesion in windows 7,but unfortunately I didn't find any dump custom command about eradius,spin,and thus I tried a latest 2017 version of lammps,it seems that the dump custom/vtk has the output of electron radius and spin, but there is an error of unkonwn dump style in windows.I feel so helplesss that I really need your help and sorry to disturb you.I am looking forward to your reply.

Best wishes,
Liangfeigong

2017-03-28

liangfeigong

The compute property/atom command can output the electron

radius and spin from the USER-EFF package. Which means that dump custom can access

that compute to write the info to a dump file. Its been that way

since before 2015.

Steve

Dear lammps,
        Thank you for the shared resources of molecular dynamics
code,which is particularly helpful. Recently,a problem
about electronic froce field has beening bothered me for a long time,
and I have one question on my mind that how to output the radius,spin
and radial velocity of electron.Here is my entire condition that I firstly
installed a lammps of 2015 vesion in windows 7,but unfortunately I didn't
find any dump custom command about eradius,spin,and thus I tried a latest
2017 version of lammps,it seems that the dump custom/vtk has the output of
electron radius and spin, but there is an error of unkonwn dump style in
windows.I feel so helplesss that I really need your help and sorry to
disturb you.I am looking forward to your reply.

​the mentioning of spin, eradius and more in the dump custom/vtk
documentation is due to the documentation having not being updated​
properly.
dump style custom/vtk is not included in the precompiled windows binaries.

as steve already said, the properties, you are looking for are readily
available with dump custom, see the USER-EFF examples for how to access
them.

axel.