 giagitom
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53df86c585
Avoid using unnecessary extractMinimum from heap if k=1 on nearest search, add nearest method as unreleased.
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2 jaren geleden |
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giagitom
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8814b60d0b
Increased performances of lookup3d nearest search.
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2 jaren geleden |
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giagitom
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d7cbd5570c
Implement lookup & grid nearest search using fibonacci heap
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2 jaren geleden |
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giagitom
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718f76313f
Adding nearest method to lookup3d at unit and structure level.
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2 jaren geleden |
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giagitom
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9f72465052
remove unnecessary
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2 jaren geleden |
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giagitom
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12b9655565
adding nearest and distance to point methods to lookup3d
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2 jaren geleden |
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Alexander Rose
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3769da48a1
handle building GridLookup3D with zero cell size
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3 jaren geleden |
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Alexander Rose
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3b1513adc0
fix eslint warnings
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3 jaren geleden |
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dsehnal
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c36c6a6d97
support nested Lookup3D queries
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4 jaren geleden |
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David Sehnal
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524d38c450
fix bounding box bug
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4 jaren geleden |
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Alexander Rose
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8897261836
decoupled structure.boundary from lookup
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4 jaren geleden |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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5 jaren geleden |
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Alexander Rose
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f65f4f4aeb
seperate grid and boundary calculation
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5 jaren geleden |
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Alexander Rose
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03668216fa
use EPOS-based boundary-helper throughout
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5 jaren geleden |
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Alexander Rose
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5f8a4b6be4
better types for IntAdjacencyGraph and GridLookup3D
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5 jaren geleden |
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Alexander Rose
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8b766dc242
tweak, use Box3D.size
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5 jaren geleden |
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Alexander Rose
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149e6ebf84
cleanup
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5 jaren geleden |
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Alexander Rose
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2c55165c84
use relative paths for module imports
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6 jaren geleden |
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Alexander Rose
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e87abc47b9
lookup3d, expose transient result property
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6 jaren geleden |
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Alexander Rose
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0e2b6d9794
dssp tweak, caMinDist and grid cellCount
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6 jaren geleden |
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David Sehnal
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f72d70b7c1
mol-model: use boundary helper
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6 jaren geleden |
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Alexander Rose
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ac97c05c30
wip, gaussian surface picking / coloring
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6 jaren geleden |
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David Sehnal
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d6e867e55a
Split water into multiple units based on grid, fix bug in GridLookup3D
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6 jaren geleden |
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Alexander Rose
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d400016581
tweaks and fixes
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6 jaren geleden |
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David Sehnal
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5d022ffed5
Fixes to group bond computation
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7 jaren geleden |
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David Sehnal
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837f5eaef3
Compute bonds on unit level
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7 jaren geleden |
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David Sehnal
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835185bb69
Tweaks
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7 jaren geleden |
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David Sehnal
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c113aac2ef
Structure level lookup3d (part 1)
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7 jaren geleden |
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David Sehnal
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a04ed8135d
refactoring grid lookup (step 3)
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7 jaren geleden |
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David Sehnal
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81d5caf818
refactoring grid lookup (step 2)
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7 jaren geleden |
