[lammps-users] ave/spatial

Dear all

I am using ave/spatial to divide my liquid into 10 bins. my output file is like below:

Layer Coordinate Natoms v_temp

15500000 10
1 0.05 0 0
2 0.15 0 0
3 0.25 36.0591 109.149
4 0.35 33.6952 106.831
5 0.45 29.5083 105.502
6 0.55 29.6556 104.156
7 0.65 34.0055 101.894
8 0.75 36.0763 99.3806
9 0.85 0 0
10 0.95 0 0

I want to know the real distance of each bin. Like the real distance between bin1 and bin2. How to calculate here?

the liquid is in my wall channel. so the width of my liquid is not the size of my simulation box. So I can not do it by calculation myself.

Anybody can give me some suggestion?

Thanks

ziyuan shi

The 2nd number in each line is the coordinate of the center point of the
bin. So the difference between 2 lines is the width of the bin.

Steve

I am still confused, my initial width of my liquid is 2.2nm. So as you said, here I calculated the width of my liquid, it’s 0.09nm. This doesn’t make sense to me. Did I understand it in a wrong way?

ziyuan

Sorry, I noticed I used unit reduced. Thank you Steve.

Ziyuan

yes - if fix ave/spatial specifies the bin size as reduced,
then the Coords in the file will be from 0-1, so you need
to multiply by the box length to get real values

Steve