.gitignore
.pre-commit-config.yaml
.pylintrc
.readthedocs.yaml
CONTRIBUTING.md
COPYING
COPYING.LESSER
README.rst
environment.yaml
pyproject.toml
setup.cfg
setup.py
tox.ini
.github/workflows/python.yml
.github/workflows/release.yml
.vscode/settings.json
doc/conf.py
doc/index.rst
doc/installation.rst
doc/requirements.txt
doc/_static/tad-dftd4-favicon.svg
doc/_static/tad-dftd4.svg
doc/modules/_typing.rst
doc/modules/charges.rst
doc/modules/constants.rst
doc/modules/cutoff.rst
doc/modules/defaults.rst
doc/modules/disp.rst
doc/modules/index.rst
doc/modules/model.rst
doc/modules/params.rst
doc/modules/utils.rst
doc/modules/damping/atm.rst
doc/modules/damping/index.rst
doc/modules/damping/rational.rst
doc/modules/data/en.rst
doc/modules/data/hardness.rst
doc/modules/data/index.rst
doc/modules/data/r4r2.rst
doc/modules/data/radii.rst
doc/modules/data/zeff.rst
doc/modules/ncoord/count.rst
doc/modules/ncoord/d4.rst
doc/modules/ncoord/eeq.rst
doc/modules/ncoord/index.rst
src/tad_dftd4/__init__.py
src/tad_dftd4/__version__.py
src/tad_dftd4/_typing.py
src/tad_dftd4/charges.py
src/tad_dftd4/constants.py
src/tad_dftd4/cutoff.py
src/tad_dftd4/defaults.py
src/tad_dftd4/disp.py
src/tad_dftd4/model.py
src/tad_dftd4/params.py
src/tad_dftd4/utils.py
src/tad_dftd4.egg-info/PKG-INFO
src/tad_dftd4.egg-info/SOURCES.txt
src/tad_dftd4.egg-info/dependency_links.txt
src/tad_dftd4.egg-info/requires.txt
src/tad_dftd4.egg-info/top_level.txt
src/tad_dftd4/damping/__init__.py
src/tad_dftd4/damping/atm.py
src/tad_dftd4/damping/rational.py
src/tad_dftd4/data/__init__.py
src/tad_dftd4/data/en.py
src/tad_dftd4/data/hardness.py
src/tad_dftd4/data/r4r2.py
src/tad_dftd4/data/radii.py
src/tad_dftd4/data/zeff.py
src/tad_dftd4/ncoord/__init__.py
src/tad_dftd4/ncoord/count.py
src/tad_dftd4/ncoord/d4.py
src/tad_dftd4/ncoord/eeq.py
test/__init__.py
test/conftest.py
test/molecules.py
test/utils.py
test/test_charge/__init__.py
test/test_charge/samples.py
test/test_charge/test_charges.py
test/test_charge/test_general.py
test/test_charge/test_grad.py
test/test_cutoff/__init__.py
test/test_cutoff/test_general.py
test/test_cutoff/test_types.py
test/test_disp/__init__.py
test/test_disp/samples.py
test/test_disp/test_atm.py
test/test_disp/test_full.py
test/test_disp/test_general.py
test/test_disp/test_grad.py
test/test_disp/test_twobody.py
test/test_model/__init__.py
test/test_model/samples.py
test/test_model/test_c6.py
test/test_model/test_general.py
test/test_model/test_model.py
test/test_model/test_weights.py
test/test_ncoord/__init__.py
test/test_ncoord/samples.py
test/test_ncoord/test_cn_d4.py
test/test_ncoord/test_cn_eeq.py
test/test_ncoord/test_general.py
test/test_ncoord/test_grad.py
test/test_utils/__init__.py
test/test_utils/test_pack.py
test/test_utils/test_real.py