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Commits : Listings

Analyzed about 23 hours ago. based on code collected 1 day ago.
Feb 04, 2024 — Feb 04, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
use atoms instead of at in extxyz tests More... 12 months ago
More refactoring More... 12 months ago
Refactor extraction of calculator results in extxyz helper function, to enable use in writer and helper function More... 12 months ago
Add helper function save_calc_quantities to io/extxyz.py More... 12 months ago
Revert "Add calc_prefix argument to write_extxyz()" More... 12 months ago
Revert "flakes" More... 12 months ago
Revert "Fix extxyz in test/fio/test_oi.py" More... 12 months ago
Revert "Fix additional failing tests" More... 12 months ago
Revert "more flakes" More... 12 months ago
Revert "Update deprecated scipy function in neb" More... 12 months ago
Revert "Revert "Update deprecated scipy function in neb"" More... 12 months ago
Revert "extxyz read/write docstring details" More... 12 months ago
Revert "flake" More... 12 months ago
flake More... 12 months ago
extxyz read/write docstring details More... 12 months ago
Added compatibility with psml files and swapped os.path calls with pathlib calls More... 12 months ago
Revert "Update deprecated scipy function in neb" More... 12 months ago
Update deprecated scipy function in neb More... 12 months ago
more flakes More... 12 months ago
Fix additional failing tests More... 12 months ago
Fix extxyz in test/fio/test_oi.py More... 12 months ago
flakes More... 12 months ago
Add calc_prefix argument to write_extxyz() More... 12 months ago
test More... 12 months ago
Merge branch 'fix-parallel-deadlock-in-vasp-outcar-parsers' into 'master' More... 12 months ago
Read CONTCAR/POSCAR with parallel=False in vasp_outcar_parsers.py to avoid parallel deadlock. More... 12 months ago
Merge branch 'phonon_database' into 'master' More... 12 months ago
Make read_espresso_ph database friendly More... 12 months ago
Merge branch 'filepaths' into 'master' More... 12 months ago
Use relative paths as-needed in `BaseProfile` More... 12 months ago