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version_history [2022/12/30 14:19] – [Trunk (development)] oschuett | version_history [2024/01/10 13:26] (current) – oschuett | ||
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===== Trunk (development) ===== | ===== Trunk (development) ===== | ||
Features available or under development in the latest git version (https:// | Features available or under development in the latest git version (https:// | ||
+ | |||
+ | ===== 2024.1 ===== | ||
+ | |||
+ | == Released January 3, 2024 == | ||
+ | |||
+ | The release notes are at https:// | ||
+ | |||
+ | ===== 2023.2 ===== | ||
+ | |||
+ | == Released July 28, 2023 == | ||
+ | |||
+ | * GW: Periodic open-shell and Splitting of electronic states due to spin-orbit coupling ([[ https:// | ||
+ | * GTH pseudopotential database file with spin-orbit coupling (SOC) parameters added ([[https:// | ||
+ | * RTP: TD Field Velocity gauge and projection TD-MOs ([[ https:// | ||
+ | * RTP: Linear density delta kick and restart ([[ https:// | ||
+ | * RTP: Enabled ADMM with GAPW ([[ https:// | ||
+ | * Implementation of the NVPT for APTs and AATs in velocity form ([[ https:// | ||
+ | * Intrinsic Atomic Orbitals ([[ https:// | ||
+ | * Machine Learning: Add PyTorch interface, Nequip and Allegro models ([[https:// | ||
+ | * k-points: Implementation of the DIIS/Diag. solver ([[ https:// | ||
+ | * TDDFPT: SOC absorption ([[ https:// | ||
+ | * GAPW triplet excitation energies and forces ([[ https:// | ||
+ | * EC: Enable DC-DFT with HFX-ADMM for reference and DC calculation ([[ https:// | ||
+ | * Add cell symmetry '' | ||
+ | * Grid: Rename backends, change default to '' | ||
+ | * Grid: Enable GPU acceleration for large basis sets ([[ https:// | ||
+ | * FM: Add experimental support for [[ https:// | ||
+ | * Regtesting: Add '' | ||
+ | * Add support for MPI Fortran 2008 bindings ([[ https:// | ||
+ | * Add support for [[ https:// | ||
+ | | ||
+ | ===== 2023.1 ===== | ||
+ | |||
+ | == Released January 1, 2023 == | ||
+ | |||
* Add gradients for SOS-MP2 and RPA incl. benchmarks ([[ https:// | * Add gradients for SOS-MP2 and RPA incl. benchmarks ([[ https:// | ||
* TDDFT/ | * TDDFT/ | ||
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* ELPA: Fix block size issue on GPU ([[ https:// | * ELPA: Fix block size issue on GPU ([[ https:// | ||
* Drop Support for MPI 2.0 ([[ https:// | * Drop Support for MPI 2.0 ([[ https:// | ||
- | * Add experimental CMake build system | + | * Add experimental CMake build system ([[ https:// |
* Fix regtests on ARM64 ([[ https:// | * Fix regtests on ARM64 ([[ https:// | ||
* Start testing with Address Sanitizer ([[ https:// | * Start testing with Address Sanitizer ([[ https:// | ||
- | * Start testing on macOS Apple M1 (sponsored by MacStadium) | + | * Start testing on macOS Apple M1 (sponsored by [[https:// |
===== 2022.2 ===== | ===== 2022.2 ===== |
version_history.txt · Last modified: 2024/01/10 13:26 by oschuett