added changes to master to tempering_update branch #438
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* Use upstream ruamel.yaml instead of ruamel_yaml The ruamel_yaml package was created by Anaconda as a workaround for namespace package issues a long time ago. By now it is not needed anymore and ruamel.yaml is available from Anaconda's "defaults" channel as well as conda-forge. Conda-forge will stop (re-)building (the severly outdated) ruamel_yaml package; tracking issue: conda-forge/ruamel_yaml-feedstock#107 Signed-off-by: Marcel Bargull <[email protected]> * Add compatibility for ruamel.yaml=0.18 ruamel.yaml=0.18 removed the top-level load, dump, etc. functions. For details see https://pypi.org/project/ruamel.yaml/0.18.4/ . Signed-off-by: Marcel Bargull <[email protected]> --------- Signed-off-by: Marcel Bargull <[email protected]>
Attempt to fix github runner bug on ubuntu 22.04, see actions/runner-images#8659 (comment)
* added SASA analysis * moved sasa.h from analysis.h to .cpp * minor renaming * added missing documentation of functions * most changes based on review * Add documentation and streming output * Add sasa analysis to JSON schema * Update git ignore * Update manual * CI fix * Add sasa test * Fix github run command * Update CI --------- Co-authored-by: jakub <[email protected]> Co-authored-by: Mikael Lund <[email protected]> Co-authored-by: Mikael Lund <[email protected]>
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Description
Please edit this text to include a summary of the change and which issue is fixed.
Checklist
make testpasses with no errorsthe source code is well documented
new functionality includes unittests
the user-manual has been updated to reflect the changes
I have installed the provided commit hook to auto-format commits (requires
clang-format):code naming scheme follows the convention:
PascalCasecamelCasesnake_case