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Update fingerprint.py
tests #526: Commit 4528599 pushed by talagayev
November 27, 2024 19:29 3m 21s water_bridge_2nd_order
November 27, 2024 19:29 3m 21s
fix: linting
tests #525: Commit 61e941f pushed by talagayev
November 27, 2024 14:02 5m 41s water_bridge_2nd_order
November 27, 2024 14:02 5m 41s
WaterBridge interaction
tests #524: Pull request #229 opened by cbouy
November 26, 2024 00:25 3s water_bridge
November 26, 2024 00:25 3s
WaterBridge interaction
Ruff/Black #25: Pull request #229 opened by cbouy
November 26, 2024 00:25 25s water_bridge
November 26, 2024 00:25 25s
WaterBridge interaction
CodeQL #136: Pull request #229 opened by cbouy
November 26, 2024 00:25 1m 19s water_bridge
November 26, 2024 00:25 1m 19s
fix: linting
tests #523: Commit 61e941f pushed by cbouy
November 26, 2024 00:23 5m 48s water_bridge
November 26, 2024 00:23 5m 48s
Implementation of Water Bridge Interaction Calculation
CodeQL #135: Pull request #225 synchronize by cbouy
November 24, 2024 23:54 1m 22s talagayev:water_bridge
November 24, 2024 23:54 1m 22s
Implementation of Water Bridge Interaction Calculation
Ruff/Black #24: Pull request #225 synchronize by cbouy
November 24, 2024 23:54 17s talagayev:water_bridge
November 24, 2024 23:54 17s
Implementation of Water Bridge Interaction Calculation
tests #522: Pull request #225 synchronize by cbouy
November 24, 2024 23:54 3m 28s talagayev:water_bridge
November 24, 2024 23:54 3m 28s
Implementation of Water Bridge Interaction Calculation
tests #521: Pull request #225 synchronize by cbouy
November 24, 2024 22:11 5m 34s talagayev:water_bridge
November 24, 2024 22:11 5m 34s
Implementation of Water Bridge Interaction Calculation
Ruff/Black #23: Pull request #225 synchronize by cbouy
November 24, 2024 22:11 23s talagayev:water_bridge
November 24, 2024 22:11 23s
Implementation of Water Bridge Interaction Calculation
CodeQL #134: Pull request #225 synchronize by cbouy
November 24, 2024 22:11 1m 10s talagayev:water_bridge
November 24, 2024 22:11 1m 10s
add angles debugger
tests #516: Commit ce45fe4 pushed by cbouy
October 26, 2024 16:27 3m 11s interaction-debug
October 26, 2024 16:27 3m 11s
VdwContact presets (#223)
tests #515: Commit 9ab0e5c pushed by cbouy
October 24, 2024 22:52 5m 25s master
October 24, 2024 22:52 5m 25s
VdwContact presets (#223)
Ruff/Black #18: Commit 9ab0e5c pushed by cbouy
October 24, 2024 22:52 25s master
October 24, 2024 22:52 25s
VdwContact presets (#223)
CodeQL #129: Commit 9ab0e5c pushed by cbouy
October 24, 2024 22:52 2m 35s master
October 24, 2024 22:52 2m 35s
Vdw presets
Ruff/Black #17: Pull request #223 synchronize by cbouy
October 24, 2024 20:53 27s vdw-presets
October 24, 2024 20:53 27s
Vdw presets
tests #514: Pull request #223 synchronize by cbouy
October 24, 2024 20:53 5s vdw-presets
October 24, 2024 20:53 5s
Vdw presets
CodeQL #128: Pull request #223 synchronize by cbouy
October 24, 2024 20:53 2m 42s vdw-presets
October 24, 2024 20:53 2m 42s
fix intersphinx_mapping
tests #513: Commit 8e27509 pushed by cbouy
October 24, 2024 20:53 3m 13s vdw-presets
October 24, 2024 20:53 3m 13s
Vdw presets
tests #512: Pull request #223 opened by cbouy
October 24, 2024 20:10 3s vdw-presets
October 24, 2024 20:10 3s
Vdw presets
Ruff/Black #16: Pull request #223 opened by cbouy
October 24, 2024 20:10 26s vdw-presets
October 24, 2024 20:10 26s
Vdw presets
CodeQL #127: Pull request #223 opened by cbouy
October 24, 2024 20:10 2m 28s vdw-presets
October 24, 2024 20:10 2m 28s
document vdwradii preset and how to change parameters
tests #511: Commit fd3dac7 pushed by cbouy
October 24, 2024 20:04 3m 18s vdw-presets
October 24, 2024 20:04 3m 18s
add presets for VdWContact
tests #510: Commit cc3100a pushed by cbouy
October 23, 2024 23:50 5m 30s vdw-presets
October 23, 2024 23:50 5m 30s