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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
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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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