command of region and dump_modify

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1

Dear Users,

I am trying to dump velocity information for only partial atom indices.Now I setup my input as below(only show the mentioned part),but it still dump to all the atom indices instead of the specified region.I specified region here is the space between hemisphere and plate.Could you please give me any suggestion and comments what’s wrong with my input ?

partial input:

region sideplate block 13.94 47.94 13.94 47.94 16.0 30.783 side in
region sidetip sphere 30.94 30.94 30.783 v_R side out
region myconfined union 2 sideplate sidetip

dump 2 all custom 5 dump.region id type x y z vx vy vz
dump_modify 2 region myconfined sort id

Best regards

Liyi

2

Hello
I can not understand where is my mistake:
LAMMPS (23 Oct 2017) (windows)

ERROR: Invalid thermo keyword in variable formula (…/variable.cpp:2037)
Last command: region dens block (d11) (d12) 7 12 (d11) (d12)

package gpu 2
units metal
boundary p s p
atom_style atomic

variable cell1 equal 54
variable cell2 equal 47

lattice fcc 3.52
region target block 0 {cell1} 0 7 0 {cell1}
lattice fcc 4.05
region udar block 0 {cell2} 6.5 13 0 {cell2}
region whole union 2 udar target

create_box 2 whole
lattice fcc 3.52 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 region target
lattice fcc 4.05 origin 0 0 .247 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 2 region udar

variable cntr equal v_cell2/2
variable d11 equal 11
variable d12 equal 12

region dens block (d11) (d12) 7 12 (d11) (d12)

3

Change your command as bellow:
region dens block {d11} {d12} 7 12 {d11} {d12}

4

Dear Users,

I am trying to dump velocity information for only partial atom indices.Now
I setup my input as below(only show the mentioned part),but it still dump
to all the atom indices instead of the specified region.I specified region
here is the space between hemisphere and plate.Could you please give me any
suggestion and comments what's wrong with my input ?

​most likely your region definition is not what you expect it should be.

axel.​