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bjmorgan / vasppy
75%

Build:
DEFAULT BRANCH: main
Repo Added 05 May 2017 07:48AM UTC
Files 33
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  • convergence_testing
  • main
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  • orthorhombic_cell
  • v0.7.2.0
  • v1.0

28 Mar 2026 03:46PM UTC coverage: 75.013% (+31.6%) from 43.4%
23688637466

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github

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vasppy v1.0: remove custom Poscar class, migrate to pymatgen Structure

- Remove the custom Poscar class in favour of pymatgen Structure
- Migrate all CLI scripts and modules to the pymatgen Structure API
- Fix accumulated bugs: bitwise operator in Band.__eq__, PROCAR
  k-point regex, KPoint equality, RDF initialisation, file handle
  leaks, bare except in summary.py
- Add type hints, Google-style docstrings, and f-strings throughout
- Resolve all mypy strict-mode errors
- Refactor doscar.py pdos_select into composable helpers with
  guard-clause and normalise-then-act patterns
- Replace manual lazy-loading with cached_property in Vasprun
- Improve error handling: narrow broad exception catches, add
  warnings for corrupt vasprun files, validate YAML inputs,
  add None checks for truncated XML
- Fix docstring errors across optics, procar, vasprun, and kpoints
- Remove dead code: commented-out write_file, unused self.self_reference,
  stale comments and TODO markers
- Separate CI: mypy in its own job, drop redundant pylint, fix
  duplicate runs on feature branches
- Remove --scale and --group flags from proc_poscar (--scale is now
  always-on via pymatgen; --group relied on arbitrary species labels
  not supported by pymatgen Structure)
- Bump version to 1.0.0

606 of 815 new or added lines in 32 files covered. (74.36%)

21 existing lines in 13 files now uncovered.

1462 of 1949 relevant lines covered (75.01%)

3.0 hits per line

Relevant lines Covered
Build:
Build:
1949 RELEVANT LINES 1462 COVERED LINES
3.0 HITS PER LINE
Source Files on main
  • Tree
  • List 33
  • Changed 32
  • Source Changed 32
  • Coverage Changed 31
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
23688637466 main vasppy v1.0: remove custom Poscar class, migrate to pymatgen Structure - Remove the custom Poscar class in favour of pymatgen Structure - Migrate all CLI scripts and modules to the pymatgen Structure API - Fix accumulated bugs: bitwise operator i... push 28 Mar 2026 03:48PM UTC web-flow github
75.01
23688544638 v1.0 Merge 4df7d155b into a659a258f Pull #31 28 Mar 2026 03:42PM UTC web-flow github
75.01
23688452161 v1.0 Merge 755504d1f into a659a258f Pull #31 28 Mar 2026 03:37PM UTC web-flow github
75.04
23688260867 v1.0 Merge 6de0034ef into a659a258f Pull #31 28 Mar 2026 03:26PM UTC web-flow github
75.04
23688206304 v1.0 Merge c9eb732a5 into a659a258f Pull #31 28 Mar 2026 03:23PM UTC web-flow github
75.06
23688138046 v1.0 Merge 382d305eb into a659a258f Pull #31 28 Mar 2026 03:20PM UTC web-flow github
74.87
23688085403 v1.0 Merge 6c1e6b3e2 into a659a258f Pull #31 28 Mar 2026 03:17PM UTC web-flow github
74.83
23687739781 v1.0 Merge 9e7fd13c1 into a659a258f Pull #31 28 Mar 2026 02:57PM UTC web-flow github
74.8
23686298271 v1.0 Merge 5126a88ba into a659a258f Pull #31 28 Mar 2026 01:33PM UTC web-flow github
74.83
23686268804 v1.0 Merge 77fc4ca4b into a659a258f Pull #31 28 Mar 2026 01:32PM UTC web-flow github
74.83
See All Builds (112)
  • Repo on GitHub
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