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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
Merge branch 'typing/numpy' into 'master' More... about 2 months ago
Merge branch 'fix_alat' into 'master' More... about 2 months ago
Merge branch 'nose-hoover-chain-pr' into 'master' More... about 2 months ago
Use force_consistent=True for Nose-Hoover chain conversed energy More... about 2 months ago
make in-place operation More... about 2 months ago
vectorize More... about 2 months ago
Remove num_atoms inputs from NoseHooverChainThermostat More... about 2 months ago
Forward kwargs to MolecularDynamics More... about 2 months ago
Fix test More... about 2 months ago
MAINT: Harmonize test_nwchem_writer More... about 2 months ago
TST: Apply review comments for nwchem_writer More... about 2 months ago
Merge branch 'bundledocstrings' into 'master' More... about 2 months ago
Fix overly long lines. More... 2 months ago
Add missing docstrings to BundleTrajectory. More... 2 months ago
Merge branch 'fixdoc-siesta' into 'master' More... 2 months ago
Update pseudo generator in siesta.rst More... 2 months ago
Additional fixes in the Siesta documentation Information about pseudopotentials was further updated Links in the documentation were fixed Correction of minor typos More... 2 months ago
Merge branch 'fix-bundle-append' into 'master' More... 2 months ago
Added compatibitliy with pseudopotentials in psml format Siesta website updated More... 2 months ago
MAINT: Appease linter More... 2 months ago
TST: Add one for nwchem geom:dont_verify ordering More... 2 months ago
BUG: Move set params earlier for the nwchem writer More... 2 months ago
Merge branch 'vasp_run_stderr' into 'master' More... 2 months ago
Switch to ASE-standard single quotes in new test More... 3 months ago
Switch to ASE-standard single quotes in vasp run error test More... 3 months ago
Calm ruff More... 3 months ago
Add tests for BundleTrajectory More... 3 months ago
Merge branch 'fk_calculator_configuration' into 'master' More... 3 months ago
Merge branch 'vasp_incar_bool' into 'master' More... 3 months ago
use ASE coding conventions More... 3 months ago