nomad-coe / atomistic-parsers / 9112725076

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github

Fix quantity types (#106)

* Fix amber

* Fix asap

* Fix bopfox

* Fix dftbplus

* Fix dlpoly

* Fix gromos

* Fix gulp

* Fix h5md

* Fix libatoms

* Fix namd

* Fix tinker

* Fix xtb

* Fix gromacs

* Fix lammps

* More fixes

* Linting fix

* debugging

* resolved indexing issues

* removed prints

* fix for inhomogeneous labels

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Co-authored-by: jrudz <rudzinski@mpip-mainz.mpg.de>
Co-authored-by: Joseph Rudzinski <JFRudzinski@users.noreply.github.com>

198 of 205 new or added lines in 20 files covered. (96.59%)

6237 of 7074 relevant lines covered (88.17%)

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