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Created with Raphaël 2.2.011Sep1020Mar1925Mar22Feb29Jan20Jul1331Jan26Oct2Aug22Jun25Jan1929Nov282515111017Oct16730Sep29282622201514826Aug23Jun2223May229MarFurther update of README.md; mv metadata.yml -> metadata.yamlmastermasterUpdated README.md; added metadata.yml; the lead branch is now master, inactive branches became tagsParser optimizations.Remove dependency on old metainfo.Fixed gitignore.Added metainfo python code.fixed float regex issue.legacy-metainfolegacy-metainfoAdded Orca to Nomad-Faird framework.meta 2.0 changesnomad-coenomad-coeMerge branch 'auto-license-info' into 'master'Added copyright statements and license.fix orca program_name, program_basis_set_typepreMetaRenamepreMetaRenamelicense header for scala filesfixed the counting of eigenvalues in case of unrestricted calcsFixed the acquisition of CI/CCSD calculationscorrect opening of scf iteration sectionspecify encoding for python2Bug fix: too many single configuration calculation sections were opened and closed.Implemented parsing of excited state data for TDDFT calculation.Fixed output of eigenvalues and occupations.Fixing regexp for orbital energies.Checking sections and variables for XC functionals1.0.01.0.0Adding Dictionary for functionalsCheck units of atomic positionsAdd XC_functional_name to the parserCheck sections and fix indentation errorssplit single_conf_calculation by method, avoid repetitionsChecking energy_total typofixing typo in test runnerAdd HF methodsChecking energy_totalfixing scala wrapperuse x_orca_basis_set_atom_labels for basis_set atom labelfixing parsing, activating testscorrecting typosadd files and corrections to parserTypo corrections doneChanges in matcher starts orca_x_ to x_orca_Checking brackets errorsCheck little error (empty SM())