CP2K

Settings | Report Duplicate

3

I Use This!

High Activity

Commits : Listings

Analyzed about 2 hours ago. based on code collected about 7 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Apr 30, 2023 — Apr 30, 2024 Showing page 6 of 719 Search / Filter on:
fix overlap derivatives (#3225)	Hsiaoyi Tsai	More...				3 months ago
Updated ref values for HFX response forces	abussy	More...				3 months ago
Update regtests (#3226)	Jürg Hutter as Juerg Hutter	More...				3 months ago
Apply default indentation	Matthias Krack	More...				3 months ago
Revise file extensions, use template as test input	Matthias Krack	More...				3 months ago
Clarify RI-HFXk input	abussy	More...				3 months ago
Bug fix screening in hfx_derivatives (#3221)	Jürg Hutter as Juerg Hutter	More...				3 months ago
Indent @-directives and set them upercase	Matthias Krack	More...				3 months ago
Update arch files for SIRIUS 7.5.2	Matthias Krack	More...				4 months ago
Add test inputs for common 3-site water models	Matthias Krack	More...				4 months ago
Introduce @FFTYPE directive	Matthias Krack	More...				4 months ago
Rename folder data/Fist to data/forcefield_section	Matthias Krack	More...				4 months ago
Update OpenMPI (#3216)	Frederick Stein	More...				4 months ago
PWDFT: Print the band gap and total energy	Taillefumier Mathieu	More...				4 months ago
Manual: Migrate howto:geometry_optimisation from wiki (Orig. Author: Lianheng Tong)	Ole Schütt	More...				4 months ago
Manual: Add more links to placeholder pages	Ole Schütt	More...				4 months ago
Manual: Migrate howto:langevin_regions from wiki (Orig. Author: Lianheng Tong)	Ole Schütt	More...				4 months ago
Manual: Migrate howto:xas_tdp from wiki (Orig. Author: Augustin Bussy)	Ole Schütt	More...				4 months ago
Manual: Migrate howto:resp from wiki (Orig. Author: Dorothea Golze)	Ole Schütt	More...				4 months ago
precommit: Bump jinja2 from 3.1.2 to 3.1.3	dependabot[bot]	More...				4 months ago
Manual: Add DeePMD-kit documentation	Futaki Haduki	More...				4 months ago
Highlight section and keyword names with hyphens too	Matthias Krack	More...				4 months ago
TDDFT+SOC: Fix oscillator strength within length and velocity representation	Jan-Robert Vogt	More...				4 months ago
Manual: Prepare for new GW / BSE page	Ole Schütt	More...				4 months ago
Docker: Disable DeePMD for ARM64 test	Ole Schütt	More...				4 months ago
Docker: Use Python virtual env for ASE test	Ole Schütt	More...				4 months ago
Slight refactoring of deepmd_wrapper.F	Ole Schütt	More...				4 months ago
External potential: Do not re-parse potential function at each grid-point	Sergey Chulkov	More...				4 months ago
Enable compilation without deepmd (unused arguments)	abussy	More...				4 months ago
Bug fix for parallel runs: state following with ADDED_MOS (#3199)	Jürg Hutter as Juerg Hutter	More...				4 months ago

←
1
2
3
4
5
6
7
8
9
10
…
718
719
→