Differences

This shows you the differences between two versions of the page.

--- version_history [2023/07/24 10:35] – [2023.2] gtocci
+++ version_history [2023/07/28 09:30] – oschuett
@@ Line 11: / Line 11: @@
   * GW: Periodic open-shell and Splitting of electronic states due to spin-orbit coupling ([[ https://github.com/cp2k/cp2k/issues/2639 | #2639 ]], [[ https://github.com/cp2k/cp2k/issues/2831 | #2831 ]])
+  * GTH pseudopotential database file with spin-orbit coupling (SOC) parameters added ([[https://github.com/cp2k/cp2k/issues/2848 | #2848]])
   * RTP: TD Field Velocity gauge and projection TD-MOs ([[ https://github.com/cp2k/cp2k/issues/2623 |  #2623 ]], [[ https://github.com/cp2k/cp2k/issues/2744 | #2744 ]])
   * RTP: Linear density delta kick and restart ([[ https://github.com/cp2k/cp2k/issues/2543 | #2543 ]])
@@ Line 16: / Line 17: @@
   * Implementation of the NVPT for APTs and AATs in velocity form ([[ https://github.com/cp2k/cp2k/issues/2568 | #2568 ]], [[ https://github.com/cp2k/cp2k/issues/2561 | #2561 ]])
   * Intrinsic Atomic Orbitals ([[ https://github.com/cp2k/cp2k/issues/2707 | #2707 ]])
-  * Machine Learning: Add PyTorch interface, Nequip and Allegro models ([[https://github.com/cp2k/cp2k/pull/2420 | #2420 ]], [[ https://github.com/cp2k/cp2k/pull/2528 | #2528 ]], [[ https://github.com/cp2k/cp2k/issues/2722 | #2722 ]])
+  * Machine Learning: Add PyTorch interface, Nequip and Allegro models ([[https://github.com/cp2k/cp2k/issues/2420 | #2420 ]], [[ https://github.com/cp2k/cp2k/issues/2528 | #2528 ]], [[ https://github.com/cp2k/cp2k/issues/2722 | #2722 ]])
   * K-Points| Implementation of the DIIS/Diag. solver ([[ https://github.com/cp2k/cp2k/issues/2721 | #2721 ]])
   * TDDFPT: SOC absorption ([[ https://github.com/cp2k/cp2k/issues/2859 | #2859 ]])