Differences

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

--- version_history [2021/12/18 18:20] – oschuett
+++ version_history [2021/12/28 13:55] – oschuett
@@ Line 6: / Line 6: @@
 Features available or under development in the latest git version (https://github.com/cp2k/cp2k)
-  * Fixed MacOS build ([[ https://github.com/cp2k/cp2k/issues/1316 |#1316]])
+* Fixed MacOS build ([[ https://github.com/cp2k/cp2k/issues/1316 |#1316]])
+  * Add NEWTONX interface ([[ https://github.com/cp2k/cp2k/issues/1794 |#1794]])
+  * Add Gromacs QM/MM support ([[ https://manual.gromacs.org/documentation/2022-beta1/reference-manual/special/qmmm.html|see also]])
+  * Add experimental support for HIP and OpenCL to DBCSR
+  * Adopt BSD3 license for new performance critical code ([[ https://github.com/cp2k/cp2k/issues/1632 |#1632]])
+  * Add GAL21 forcefield ([[ https://github.com/cp2k/cp2k/issues/1579 |#1579]])
+  * Upgrade to MPI_THREAD_SERIALIZED ([[ https://github.com/cp2k/cp2k/issues/1564 |#1564]])
+  * Add new pseudopotentials and basis sets ([[ https://github.com/cp2k/cp2k/issues/1547 |#1547]], [[ https://github.com/cp2k/cp2k/issues/1551 |#1551]])
+  * Add analytical derivatives of the MO coefficients wrt nuclear coordinates ([[ https://github.com/cp2k/cp2k/issues/1706 |#1706]])
+  * Add forces for RI-HFX ([[ https://github.com/cp2k/cp2k/issues/1688 |#1688]])
+  * Add forces for TDDFT ([[ https://github.com/cp2k/cp2k/issues/1670 |#1670]], [[ https://github.com/cp2k/cp2k/issues/1759 |#1759]])
+  * Regularized RI for periodic GW ([[ https://github.com/cp2k/cp2k/issues/1776 |#1776]])
+  * Add beadwise constraints to PINT ([[ https://github.com/cp2k/cp2k/issues/1734 |#1734]])
+  * Add analytical stress tensor for NNP ([[ https://github.com/cp2k/cp2k/issues/1783 |#1783]])
+  * Add ghost particles and tip scan for xTB ([[ https://github.com/cp2k/cp2k/issues/1578 |#1578]])
+  * Add forces and stress tensor for MP2-based double-hybrids ([[ https://github.com/cp2k/cp2k/issues/1647 |#1647]])
 ===== 8.2 =====