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andersle / infretis
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coverage: 63.35% (+0.1%) from 63.232%
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web-flow 
Store rejected paths with a given status (#217)

* add functionality for storing rejected paths with a given status

* cap maxop at B interface, so reactive paths are not deleted

* replace NSG status messages for the actual path statuses, like BWI, NCR, FTX, or BTX

10 of 28 new or added lines in 4 files covered. (35.71%)

566 existing lines in 8 files now uncovered.

3177 of 5015 relevant lines covered (63.35%)

0.63 hits per line

Relevant lines Covered
5015 RELEVANT LINES 3177 COVERED LINES
0.63 HITS PER LINE
Source Files on main

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
27333764136 main Store rejected paths with a given status (#217) * add functionality for storing rejected paths with a given status * cap maxop at B interface, so reactive paths are not deleted * replace NSG status messages for the actual path statuses, like BW... push web-flow github
63.35
24564164664 main Bump version to 2026.1.1 in pyproject.toml (#206) push web-flow github
63.23
10735228157 main Remove unused code (#108) * Removed unused code: - unused imports - unused methods (`metropolis_accept_reject`, restart info writers/readers) - unused classes (`OrderFile` and `EnergyFile`) - unused dask examples - unused tools push web-flow github
63.69
10735085488 main change from float128 to longdouble (#106) * change from float128 to longdouble * Update gromacs.py bug fix when checking gromacs settings due to comments * add lammps fix --------- Co-authored-by: dz24 <daniel.t.zhang@ntnu.no> Co-... push web-flow github
61.21
10727278786 main Remove Dask (#103) * Switch to an internal asyncio-based runner. Still some things to figure out. * Add async runner. * Move run_md async wrapper into the runner. * Comments in asyncrunner & sync task function wrapper. * Remove dask ... push web-flow github
61.21
8595870935 main Update workflows (#91) * Updated to actions/checkout@v4 * Updated to actions/setup-python@v5 * Updated to actions/cache@v4 push web-flow github
62.34
7812707718 main Update README.md (#84) push web-flow github
62.34
7623203216 main Velocity settings (#76) * remove `rescale` and `aimless` options in velocity generation, meaning we now only support aimless shooting and we do not support rescaling the energy to match some total energy at the shooting point * add the H2 diss... push web-flow github
62.38
7395582032 main Update action tj-actions/changed-files to version 41 (#77) * Version bump: tj-actions/changed-files@v41 * Also made use of environment variables to store unsafe outputs. Motivation: https://github.com/tj-actions/changed-files/security/advisor... push web-flow github
53.72
7394783922 main remove titus0 wham scripts (#75) * rm unused * remove command in pyproj --------- Co-authored-by: dz24 <daniel.t.zhang@ntnu.no> push web-flow github
53.72
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