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m3g
/
CellListMap.jl
Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.
https://m3g.github.io/CellListMap.jl/
MIT License
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Better handling when `NaN` occurs in a position
#105
KristofferC
closed
1 week ago
11
[Proof of Concept] `Polyester.@batch` for threading
#104
efaulhaber
opened
1 month ago
14
Release 0.8.32
#103
lmiq
closed
3 months ago
0
Release 0.8.31
#102
lmiq
closed
3 months ago
0
define AbstractPeriodicSystem
#101
lmiq
closed
3 months ago
0
Covert example to doc test
#100
lmiq
closed
3 months ago
1
Update jldoctests, create new ones. Apply filters.
#99
lmiq
closed
3 months ago
0
Merge cell lists in parallel.
#98
lmiq
closed
4 months ago
0
Removing periodic boundary conditions
#97
edwinb-ai
closed
5 months ago
2
Computing virial and pressure
#96
edwinb-ai
closed
5 months ago
6
Difference from brute force
#95
PharmCat
closed
6 months ago
6
CellListMap allocating too much memory
#94
dforero0896
closed
9 months ago
13
ReverseDiff gradients
#93
dforero0896
opened
11 months ago
14
CellListMap hangs
#92
dforero0896
closed
11 months ago
9
Fix setting `nbatches`
#91
efaulhaber
closed
1 year ago
1
Allow arrays of different types to be passed to `limits`
#90
efaulhaber
closed
1 year ago
1
Update previous cells instead of re-initializing all cells
#89
efaulhaber
opened
1 year ago
11
`limits(x, y)` requires arrays of the same type for no reason
#88
efaulhaber
closed
1 year ago
1
Setting `nbatches` doesn't work
#87
efaulhaber
closed
1 year ago
1
InPlaceNeighborList() result is incorrect
#86
ArrogantGao
closed
1 year ago
10
Make the high-level interface more flexible
#85
efaulhaber
closed
3 months ago
3
Neighborlists contain repeated elements
#84
anhi
closed
1 year ago
4
Bump codecov/codecov-action from 1 to 3
#83
dependabot[bot]
closed
1 year ago
0
Bump actions/cache from 1 to 3
#82
dependabot[bot]
closed
1 year ago
0
Is it possible to store some historical information of pairs?
#81
maphdze
closed
1 year ago
26
Does the 'update_lists = false' option only apply to periodic systems?
#80
maphdze
closed
1 year ago
5
update!() fails with disperse coordinate points
#79
cdelv
closed
1 year ago
6
New inner loop
#78
lmiq
closed
1 year ago
0
Suggestion: In a transient simulation, based on the first time step, can I define a "box of interest"?
#77
AhmedSalih3d
closed
1 year ago
2
Suggestion: Is it possible to output the coordinates and size of cells so one can visualize them?
#76
AhmedSalih3d
closed
1 year ago
2
Error when creating PeriodicSystem with empty positions
#75
nhz2
closed
1 year ago
1
dealing with highly non-homogeneous systems
#74
lmiq
opened
1 year ago
6
simplify output conversion for numpy arrays
#73
lmiq
opened
1 year ago
0
per particle cutoff array...
#72
zahachtah
closed
1 year ago
2
Birth Death processes...?
#71
zahachtah
closed
1 year ago
3
reformat test deps
#70
lmiq
closed
1 year ago
0
Release 0.8.0
#69
m3g
closed
1 year ago
0
primitive neighbor list
#68
moradza
closed
1 year ago
9
Release 0.7.24
#67
lmiq
closed
1 year ago
0
Units issue with triclinic box
#66
jgreener64
closed
2 years ago
3
Provide an integration example with Agents.jl
#65
lmiq
closed
1 year ago
1
Control number of threads
#64
jgreener64
closed
2 years ago
2
This can be a warning.
#63
Ruibin-Liu
closed
2 years ago
1
bump version
#62
lmiq
closed
2 years ago
0
fix: signature for pairwise mapping
#61
drelatgithub
closed
2 years ago
3
Error on cross pair velocity histogram
#60
dforero0896
closed
2 years ago
2
Is GPU support being planned?
#59
AhmedSalih3d
opened
2 years ago
2
Simplify dispatch of UpdateCellList! ?
#58
lmiq
opened
2 years ago
0
Box constructor is type-unstable
#57
lmiq
opened
2 years ago
0
Supporting AtomsBase
#56
rkurchin
opened
2 years ago
7
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