Allow user code to set threshold for check_pd
This feature is used in FHI-aims and other quantum chemistry and electronic structure codes as a standard approach to handle ill-conditioning. For example:
The old module-image for the shared runners will be discontinued on October 31. All users still referencing gitlab-registry.mpcdf.mpg.de/mpcdf/module-image in their CI pipelines need to switch to the new CI images now, see instructions here.
This feature is used in FHI-aims and other quantum chemistry and electronic structure codes as a standard approach to handle ill-conditioning. For example: