New convergence Criteria

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What has been done:

• Followed Baker 1996 geometry optimization (https://aip.scitation.org/doi/10.1063/1.471864), which is the default for when the geometry has converged
• atomic_displacment_rms
• atomic_displacment_max
• gradient_rms

Should be merged after eT 2.0!!

Important to merge

ToDo-list

The boxes below need to be checked before merge review will start

• Testing
  • All tests pass -rcheck flag enabled in setup.py
  • All tests pass -fbatch flag enabled in setup.py
• Versioning
  • Changelog.md is up to date
  • If merge into master: The patch number in parameters.F90 and changelog.md is up to date
• Website (Needs to be done before merge)
  • Updates (if any) to the website have been added
• Compliance with style guide
  • Do's and dont's
  • Documentation style