PyBigDFT Improvements
- Pseudopotentials converted to a YAML format Note that the old string format will still work. Also: the files are stored with a yaml extension, so that people don't get confused and try manually copying them into the run directory.
- Fixed verbosity of calculator
- Database naming - switched from comma separated to
-_-
separated. Maybe we can make,
work on all file systems, but this seems like the easier solution. - Inclusion of Krack pseudopotentials in the database.
- New protocol for remote runner which uses
jsonpickle
. This is a pure text format, so it might be safer with exotic systems.
Edited by William Dawson