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Replaced absolute polymerist imports with relative ones CI #91: Commit a1c7b67 pushed by timbernat
May 9, 2024 20:22 17s main
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May 9, 2024 20:22 17s
Updated smileslib.queries -> smileslib.substructures import CI #90: Commit 350241f pushed by timbernat
May 9, 2024 20:12 17s main
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May 9, 2024 20:12 17s
Added submodule for querying info by SMILES from chemical databases CI #89: Commit 913995f pushed by timbernat
May 9, 2024 19:54 16s main
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May 9, 2024 19:54 16s
Renamed smileslib.queries to smileslib.substructures CI #88: Commit 5b7d6ad pushed by timbernat
May 9, 2024 19:48 22s main
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May 9, 2024 19:48 22s
CI CI #87: Scheduled
May 5, 2024 01:13 18s main
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May 5, 2024 01:13 18s
Added new string encoding submodule to genutils.textual CI #86: Commit 00151da pushed by timbernat
May 2, 2024 21:12 17s main
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May 2, 2024 21:12 17s
Improved imput signature to topology_from_molecule_onto_lattice() CI #85: Commit a57fa4f pushed by timbernat
May 2, 2024 01:12 18s main
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May 2, 2024 01:12 18s
Removed unnecessary property decorators CI #84: Commit e84bcd5 pushed by timbernat
May 1, 2024 21:52 17s main
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May 1, 2024 21:52 17s
CI CI #83: Scheduled
April 28, 2024 01:13 19s main
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April 28, 2024 01:13 19s
Added BoundingBox properties for generating hypervolume face-forming … CI #82: Commit 8543841 pushed by timbernat
April 26, 2024 23:51 21s main
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April 26, 2024 23:51 21s
Downgrade c-blosc2 req from v2.13.2 to v2.12.0 to fix pytables instal… CI #81: Commit 6cdce77 pushed by timbernat
April 26, 2024 22:51 18s main
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April 26, 2024 22:51 18s
Fixed missing transpose bug in lattice vector inversion, improved var… CI #80: Commit f470aee pushed by timbernat
April 26, 2024 22:00 17s main
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April 26, 2024 22:00 17s
Added registries of all OpenFF OFFXML directories and files (not just… CI #79: Commit 82647ba pushed by timbernat
April 26, 2024 20:33 17s main
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April 26, 2024 20:33 17s
Replaced generic __class__.__init__() call with Coordinates.__init__(… CI #78: Commit 5140047 pushed by timbernat
April 26, 2024 02:32 23s main
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April 26, 2024 02:32 23s
Fixed CubicIntegerLattice super() init bug, renamed integer box sizes… CI #77: Commit ac6e9e2 pushed by timbernat
April 26, 2024 02:17 18s main
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April 26, 2024 02:17 18s
Dismantled coordops, distributed functionality amongst .integral and… CI #76: Commit 2dd08ab pushed by timbernat
April 26, 2024 02:01 20s main
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April 26, 2024 02:01 20s
Rewrote CubicIntegerLattice as subclass of Coordinates CI #75: Commit 81a811d pushed by timbernat
April 26, 2024 01:52 18s main
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April 26, 2024 01:52 18s
Migrated class definitions to lattices.coordinates CI #74: Commit 353c8ef pushed by timbernat
April 26, 2024 01:43 19s main
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April 26, 2024 01:43 19s
Implemented core Coordinates representation class and BoundingBox sub… CI #73: Commit d921950 pushed by timbernat
April 26, 2024 01:43 19s main
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April 26, 2024 01:43 19s
Implemented method for finding which Bravais lattice points lie withi… CI #72: Commit bf20bac pushed by timbernat
April 26, 2024 00:46 19s main
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April 26, 2024 00:46 19s
Added clone method for bounding boxes CI #71: Commit 1d4e645 pushed by timbernat
April 25, 2024 22:57 18s main
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April 25, 2024 22:57 18s
Grouped bounding box operations into single encapsulation class CI #70: Commit 4acd229 pushed by timbernat
April 25, 2024 22:48 19s main
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April 25, 2024 22:48 19s
Implemented calculation for nearest integer-valued point in a given n… CI #69: Commit ce8aaf6 pushed by timbernat
April 25, 2024 02:02 19s main
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April 25, 2024 02:02 19s
changed np.product() call to np.prod() to avoid deprecation warning CI #68: Commit 5945f3c pushed by timbernat
April 25, 2024 00:07 19s main
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April 25, 2024 00:07 19s
Added optional weighting to centroid calculation CI #67: Commit ae73b32 pushed by timbernat
April 24, 2024 23:53 22s main
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April 24, 2024 23:53 22s