Comments (5)
In that case the list is built when you call CellList
or if you explicitly call the UpdateCellList!
function before the mapping.
Thus, there is no cell list updating in that case, in the call to map_pairwise
.
from celllistmap.jl.
Take a look at these examples:
from celllistmap.jl.
Thanks for your reply! I got it.
from celllistmap.jl.
Take a look at these examples:
I will try. I guess this will improve the performance.
from celllistmap.jl.
If you are running celllistmap from within an interative scheme (like the steps of a simulation), that is the pattern you should follow. Anyway, you need to update the cell lists (with UpdateCellList!
), whenever the coordinates of the particles changes.
The PeriodicSystems
interface takes care of all that for you, in fact, and does all that in background. With update_lists=false
it will not update the lists, but that would be wrong if the positions change, and that option should only be used if one wants to compute a different property from the same set of positions, which is already mapped into the cell list.
from celllistmap.jl.
Related Issues (20)
- Covert example to doc test HOT 1
- dealing with highly non-homogeneous systems HOT 6
- Error when creating PeriodicSystem with empty positions HOT 1
- Suggestion: Is it possible to output the coordinates and size of cells so one can visualize them? HOT 2
- Suggestion: In a transient simulation, based on the first time step, can I define a "box of interest"? HOT 2
- update!() fails with disperse coordinate points HOT 6
- Is it possible to store some historical information of pairs? HOT 26
- Neighborlists contain repeated elements HOT 4
- Make the high-level interface more flexible HOT 3
- InPlaceNeighborList() result is incorrect HOT 10
- Setting `nbatches` doesn't work HOT 1
- `limits(x, y)` requires arrays of the same type for no reason HOT 1
- Update previous cells instead of re-initializing all cells HOT 11
- CellListMap hangs HOT 9
- ReverseDiff gradients HOT 14
- CellListMap allocating too much memory HOT 13
- Difference from brute force HOT 6
- Computing virial and pressure HOT 6
- Removing periodic boundary conditions HOT 2
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from celllistmap.jl.