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Commits : Listings

Analyzed about 3 hours ago. based on code collected about 9 hours ago.
Apr 30, 2023 — Apr 30, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Fist: Fix segfault for systems without dihedrals More... 2 months ago
Manual: Create folder for Optical Spectroscopy More... 2 months ago
Manual: Create folder for Hartree-Fock Exchange More... 2 months ago
Manual: Add placeholder page for Delta SCF method More... 2 months ago
Manual: Migrate howto:rtp_field_xas from wiki (Orig. Author: Guillaume Le Breton) More... 2 months ago
Manual: Migrate howto:delta_kick from wiki (Orig. Author: Guillaume Le Breton) More... 2 months ago
Manual: Create folder for X-Ray Spectroscopy More... 2 months ago
add option to ignore core charge when printing density cube More... 2 months ago
Stop calculation if nl-vdW functionals are requested for Energy Correction (#3278)
Jürg Hutter
as Juerg Hutter
More... 2 months ago
Uncontracted basis option for HFXSR (#3276)
Jürg Hutter
as Juerg Hutter
More... 2 months ago
cp2k -> cp2k_shell More... 2 months ago
New ASE config file syntax and default name More... 2 months ago
TDA Kernel methods (#3273)
Jürg Hutter
as Juerg Hutter
More... 2 months ago
Fixed an error in the output of MO for ROKS More... 2 months ago
Use computed eigenvectors instead of required eigenvectors to determine ScaLAPACK fallback (#3270) More... 2 months ago
Fix conventions (#3272) More... 3 months ago
Line length shortened More... 3 months ago
Code simplified and hint added More... 3 months ago
Use upstream spglib interface More... 3 months ago
Fix branches to calculate dot products of grids More... 3 months ago
Convert implicit type conversions to explicit ones Prevents bugs with the Intel compiler on several threads More... 3 months ago
Ge-At MOLOPT UZH basis sets update (#3266)
Jürg Hutter
as Juerg Hutter
More... 3 months ago
[SIRIUS] fix invalid memory access More... 3 months ago
Current (#3264)
Jürg Hutter
as Juerg Hutter
More... 3 months ago
Update README.md
Jürg Hutter
as Juerg Hutter
More... 3 months ago
Fix uninitialized variable (#3261) More... 3 months ago
added print key for RTP/EMD energy components More... 3 months ago
Fix arch file (add HDF5 explicitly) More... 3 months ago
Make poisson solver more flexible regarding auxiliary densities similar to what was already available More... 3 months ago
Fix GPU build More... 3 months ago