Removed hybrid GPU+CPU nonbonded mode#
This mode was not very useful, since it ran the non-local non-bonded interactions on the CPU. The fraction of non-local interaction is set by the domain decomposition, so this is not flexible. Also this mode was not being tested.
QM/MM: removed optimization and transition-state search#
These functionalities used to only work with old versions of Orca, had very limited use and will possibly not work any longer now.
Updated application clock handling on Pascal+ GPUs#
Starting with Pascal (CC >= 6.0) it is no longer possible to change application clocks without root privileges. Application clocks are still reported for Pascal+, but there is no longer suggestions about changing them.
Removed continuation from gmx convert-tpr#
Removed the obsolete option of gmx convert-tpr to write a tpr file for continuation using a trajectory and energy file. This is superseded by checkpointing.