Here is a list of all files with brief descriptions:

[detail level 1234]

▼ docs
occ_mainpage.h
▼ include
▼ occ
► cg
cg_json.h
distance_partition.h
interaction_mapper.h
neighbor_atoms.h
result_types.h
smd_solvation.h
solvation_contribution.h
solvation_types.h
solvent_surface.h
► core
atom.h
bondgraph.h
combinations.h
conditioning_orthogonalizer.h
constants.h
data_directory.h
diis.h
dimer.h
eem.h
eeq.h
elastic_tensor.h
element.h
energy_components.h
fraction.h
gensqrtinv.h
graph.h
inertia_tensor.h
interpolator.h
kabsch.h
kalman_estimator.h
kdtree.h
linear_algebra.h
log.h
macros.h
meshgrid.h
molecule.h
multipole.h
numpy.h
opmatrix.h
optimize.h
parallel.h
point_charge.h
point_group.h
progress.h
quasirandom.h
rotor.h
table.h
timings.h
units.h
util.h
► crystal
asymmetric_unit.h
crystal.h
dimer_labeller.h
dimer_mapping_table.h
hkl.h
muldin.h
site_index.h
site_mapping_table.h
spacegroup.h
surface.h
symmetryoperation.h
unitcell.h
► descriptors
promolecule_shape.h
steinhardt.h
► dft
dft.h
dft_gradient_kernels.h
dft_kernels.h
dft_method.h
functional.h
grid.h
hirshfeld.h
lebedev.h
nonlocal_correlation.h
range_separated_parameters.h
seminumerical_exchange.h
xc_potential_matrix.h
► disp
dftd4.h
► driver
crystal_growth.h
geometry_optimization.h
method_parser.h
single_point.h
► geometry
convex_hull.h
half_edge_mesh.h
icosphere_mesh.h
index_cache.h
linear_hashed_marching_cubes.h
linear_hashed_octree.h
marching_cubes.h
math_utils.h
mesh.h
morton.h
plane.h
pool.h
quickhull.h
ray.h
volume_grid.h
wulff.h
► gto
density.h
gto.h
rotation.h
shell_order.h
► interaction
ce_energy_model.h
coulomb.h
disp.h
energy_model_base.h
interaction_json.h
lattice_convergence_settings.h
lattice_energy.h
pair_energy.h
pair_energy_store.h
pair_potential.h
pairinteraction.h
polarization.h
wavefunction_transform.h
wolf.h
xtb_energy_model.h
► io
basis_g94.h
cifparser.h
conversion.h
core_json.h
crystal_json.h
crystalgrower.h
cube.h
dftb_gen.h
eigen_json.h
engrad.h
fchkreader.h
fchkwriter.h
gaussian_input_file.h
gmf.h
grid_settings.h
json_basis.h
kmcpp.h
load_geometry.h
moldenreader.h
obj.h
occ_input.h
orca_json.h
pc.h
ply.h
qcschema.h
solvent_json.h
tinyply.h
wavefunction_json.h
xyz.h
► isosurface
common.h
curvature.h
deformation_density.h
eeq_esp.h
electric_potential.h
electron_density.h
isosurface.h
logsumexp.h
orbital_index.h
promolecule_density.h
stockholder_weight.h
surface_types.h
void.h
volume.h
► main
cli_validators.h
crystal_surface_energy.h
monomer_wavefunctions.h
occ_cg.h
occ_cube.h
occ_describe.h
occ_dimers.h
occ_elastic.h
occ_elat.h
occ_isosurface.h
occ_pair.h
occ_scf.h
occ_surface_cuts.h
point_functors.h
properties.h
version.h
► qm
cdiis.h
chelpg.h
cint_interface.h
ediis.h
expectation.h
gradients.h
guess_density.h
hf.h
hf_fwd.h
integral_engine.h
integral_engine_df.h
merge.h
mo.h
oniom.h
opmatrix.h
orb.h
orbital_smearing.h
partitioning.h
scf.h
scf_convergence_settings.h
scf_impl.h
scf_method.h
shell.h
shellblock_norm.h
spinorbital.h
wavefunction.h
► sht
clebsch.h
legendre.h
quadrature.h
sht.h
spherical_harmonics.h
wigner3j.h
► slater
hirshfeld.h
promolecule.h
slaterbasis.h
► solvent
cosmo.h
draco.h
parameters.h
smd.h
smd_parameters.h
solvation_correction.h
surface.h
► xdm
becke_hole.h
xdm.h
► xtb
tblite_wrapper.h
xtb_wrapper.h