Stefano Battaglia

Drag and drop new window in wayland broken

3

As described by the title, the expected behavior is (recorded in a GNOME Xorg session)  It does not work in wayland, instead tilix just hangs and after a while...

Plans for supporting Laplacian operator?

2

Is there any plan to support the Laplacian out of the box? I like the simplicity of ForwardDiff.jl, but right now I am defining the Laplacian operator as ```julia laplacian(f::Function,...

Fortls 3.0 crashes

4

**Describe the bug** Fortls 3.0 crashes while parsing a file in vscode, using the modern fortran extension. In version 2.13 it was unable to parse that file, but it was...

Static and dynamic library compilation with cmake result in static library only

1

When enabling both the static and dynamic library compilation with cmake, only the static library is installed. Steps to reproduce: 1. `git clone https://github.com/TREX-CoE/trexio.git` 2. `cd trexio` 3. `./autogen.sh` 4....

Enabling the option `PRINT%MO%CARTESIAN` automatically forces the calculation of all virtual orbitals. This is set here: https://github.com/cp2k/cp2k/blob/4aa16b4ca3f76a073859a3b975508881fe8694f3/src/qs_environment.F#L1580-L1587 However, as one can see from here, https://github.com/cp2k/cp2k/blob/4aa16b4ca3f76a073859a3b975508881fe8694f3/src/qs_mo_io.F#L1221-L1224 it is not really required,...