Release 3.0.0b3

.gitignore

.gitlab-ci.yml

CHANGELOG.md

CITATION.cff

README.md

codemeta.json

doc/source/_templates/credits_tmpl.rst

doc/source/conf.py

doc/source/index.rst

doc/source/quick-start.rst

doc/source/reference/core.rst

doc/source/usage.rst

examples/command_line_interface/config.py

examples/command_line_interface/main.py

examples/command_line_interface/water.xyz

examples/investigation_newton/newton.py

examples/investigation_species/initial_geo.xyz

examples/investigation_species/main.py

examples/md_inves_example.py

examples/packmol/packmol.py