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High Activity
Commits
: Listings
Analyzed
about 3 hours
ago. based on code collected
about 9 hours
ago.
Apr 30, 2023 — Apr 30, 2024
Showing page 4 of 719
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Fist: Fix segfault for systems without dihedrals
Ole Schütt
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2 months ago
Manual: Create folder for Optical Spectroscopy
Ole Schütt
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2 months ago
Manual: Create folder for Hartree-Fock Exchange
Ole Schütt
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2 months ago
Manual: Add placeholder page for Delta SCF method
Ole Schütt
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2 months ago
Manual: Migrate howto:rtp_field_xas from wiki (Orig. Author: Guillaume Le Breton)
Ole Schütt
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2 months ago
Manual: Migrate howto:delta_kick from wiki (Orig. Author: Guillaume Le Breton)
Ole Schütt
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2 months ago
Manual: Create folder for X-Ray Spectroscopy
Ole Schütt
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2 months ago
add option to ignore core charge when printing density cube
Andre Borrfors
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2 months ago
Stop calculation if nl-vdW functionals are requested for Energy Correction (#3278)
Jürg Hutter
as Juerg Hutter
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2 months ago
Uncontracted basis option for HFXSR (#3276)
Jürg Hutter
as Juerg Hutter
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2 months ago
cp2k -> cp2k_shell
Matthias Krack
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2 months ago
New ASE config file syntax and default name
Matthias Krack
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2 months ago
TDA Kernel methods (#3273)
Jürg Hutter
as Juerg Hutter
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2 months ago
Fixed an error in the output of MO for ROKS
IlyaFed
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2 months ago
Use computed eigenvectors instead of required eigenvectors to determine ScaLAPACK fallback (#3270)
Rocco Meli
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2 months ago
Fix conventions (#3272)
Frederick Stein
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3 months ago
Line length shortened
Matthias Krack
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3 months ago
Code simplified and hint added
Matthias Krack
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3 months ago
Use upstream spglib interface
Cristian Le
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3 months ago
Fix branches to calculate dot products of grids
Frederick Stein
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3 months ago
Convert implicit type conversions to explicit ones Prevents bugs with the Intel compiler on several threads
Frederick Stein
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3 months ago
Ge-At MOLOPT UZH basis sets update (#3266)
Jürg Hutter
as Juerg Hutter
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3 months ago
[SIRIUS] fix invalid memory access
Mathieu Taillefumier
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3 months ago
Current (#3264)
Jürg Hutter
as Juerg Hutter
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3 months ago
Update README.md
Jürg Hutter
as Juerg Hutter
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3 months ago
Fix uninitialized variable (#3261)
Taillefumier Mathieu
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3 months ago
added print key for RTP/EMD energy components
Andre Borrfors
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3 months ago
Fix arch file (add HDF5 explicitly)
Matthias Krack
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3 months ago
Make poisson solver more flexible regarding auxiliary densities similar to what was already available
Frederick Stein
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3 months ago
Fix GPU build
Frederick Stein
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3 months ago
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