Comments (4)
Thanks a lot for the prompt reply - this indeed solved the issue, and I'm glad to know it was just a silly mistake from my side. You're also correct about updating counts[j], as I would be underestimating the pair counts otherwise.
from celllistmap.jl.
Here:
(x, y, i, j, d2, output) -> count_pairs!(i, DD),
output
and DD
(which name doesn't matter)
must be the same variable. This is just a function definition that for the input variables on the left returns the result of the function on the right.
On the right a variable that is not on the left only appears if it is some data that has to be used but is not provided by the standard interface (like masses, for example)
from celllistmap.jl.
(otherwise you are updating the DD
array, which is not threaded, and you have concurrency problems)
from celllistmap.jl.
Also note that within the count_pairs
function you may want to update both count[i]
and count[j]
, because the function only runs once per pair. But this is not related to threading.
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
- Does the 'update_lists = false' option only apply to periodic systems? HOT 5
- 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.