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Analyzed 12 months ago. based on code collected 12 months ago.
Dec 19, 2023 — Jan 18, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Update regtests (#3226)
Jürg Hutter
as Juerg Hutter
More... 12 months ago
Apply default indentation More... 12 months ago
Revise file extensions, use template as test input More... 12 months ago
Clarify RI-HFXk input More... 12 months ago
Bug fix screening in hfx_derivatives (#3221)
Jürg Hutter
as Juerg Hutter
More... 12 months ago
Indent @-directives and set them upercase More... 12 months ago
Update arch files for SIRIUS 7.5.2 More... 12 months ago
Add test inputs for common 3-site water models More... 12 months ago
Introduce @FFTYPE directive More... 12 months ago
Rename folder data/Fist to data/forcefield_section More... 12 months ago
Update OpenMPI (#3216) More... 12 months ago
PWDFT: Print the band gap and total energy More... 12 months ago
Manual: Migrate howto:langevin_regions from wiki (Orig. Author: Lianheng Tong) More... 12 months ago
Manual: Add more links to placeholder pages More... 12 months ago
Manual: Migrate howto:resp from wiki (Orig. Author: Dorothea Golze) More... 12 months ago
Manual: Migrate howto:geometry_optimisation from wiki (Orig. Author: Lianheng Tong) More... 12 months ago
Manual: Migrate howto:xas_tdp from wiki (Orig. Author: Augustin Bussy) More... 12 months ago
precommit: Bump jinja2 from 3.1.2 to 3.1.3 More... 12 months ago
Manual: Add DeePMD-kit documentation More... 12 months ago
Highlight section and keyword names with hyphens too More... 12 months ago
TDDFT+SOC: Fix oscillator strength within length and velocity representation More... 12 months ago
Manual: Prepare for new GW / BSE page More... 12 months ago
Docker: Disable DeePMD for ARM64 test More... 12 months ago
Docker: Use Python virtual env for ASE test More... 12 months ago
Slight refactoring of deepmd_wrapper.F More... 12 months ago
External potential: Do not re-parse potential function at each grid-point More... 12 months ago
Enable compilation without deepmd (unused arguments) More... 12 months ago
Bug fix for parallel runs: state following with ADDED_MOS (#3199)
Jürg Hutter
as Juerg Hutter
More... 12 months ago
Add support for DeePMD More... 12 months ago
Increase development version after 2024.1 release More... 12 months ago