LICENSE
LICENSE_adccore
MANIFEST.in
README.md
setup.cfg
setup.py
adcc/AdcBlockView.py
adcc/AdcMatrix.py
adcc/AdcMethod.py
adcc/AmplitudeVector.py
adcc/DataHfProvider.py
adcc/Excitation.py
adcc/ExcitedStates.py
adcc/FormatDominantElements.py
adcc/FormatIndex.py
adcc/HfCounterData.py
adcc/LazyMp.py
adcc/MoSpaces.py
adcc/OneParticleOperator.py
adcc/OperatorIntegrals.py
adcc/ReferenceState.py
adcc/Symmetry.py
adcc/Tensor.py
adcc/__init__.py
adcc/caching_policy.py
adcc/functions.py
adcc/guess.py
adcc/hdf5io.py
adcc/memory_pool.py
adcc/misc.py
adcc/modified_transition_moments.py
adcc/opt_einsum_integration.py
adcc/state_densities.py
adcc/timings.py
adcc/workflow.py
adcc.egg-info/PKG-INFO
adcc.egg-info/SOURCES.txt
adcc.egg-info/dependency_links.txt
adcc.egg-info/not-zip-safe
adcc.egg-info/requires.txt
adcc.egg-info/top_level.txt
adcc/backends/EriBuilder.py
adcc/backends/InvalidReference.py
adcc/backends/__init__.py
adcc/backends/molsturm.py
adcc/backends/psi4.py
adcc/backends/pyscf.py
adcc/backends/testing.py
adcc/backends/veloxchem.py
adcc/lib/libadccore.so
adcc/lib/libadccore_LICENSE
adcc/solver/SolverStateBase.py
adcc/solver/__init__.py
adcc/solver/conjugate_gradient.py
adcc/solver/davidson.py
adcc/solver/explicit_symmetrisation.py
adcc/solver/power_method.py
adcc/solver/preconditioner.py
adcc/visualisation/ExcitationSpectrum.py
adcc/visualisation/Spectrum.py
adcc/visualisation/__init__.py
adcc/visualisation/shapefctns.py
extension/AdcCore.py
extension/ExportAdcc.cc
extension/caching_policy_hack.hh
extension/convert_timer.cc
extension/convert_timer.hh
extension/export_AdcIntermediates.cc
extension/export_AdcMatrix.cc
extension/export_AdcMemory.cc
extension/export_AmplitudeVector.cc
extension/export_CachingPolicy.cc
extension/export_HartreeFockProvider.cc
extension/export_LazyMp.cc
extension/export_MoIndexTranslation.cc
extension/export_MoSpaces.cc
extension/export_OneParticleOperator.cc
extension/export_ReferenceState.cc
extension/export_Symmetry.cc
extension/export_Tensor.cc
extension/export_amplitude_vector_enforce_spin_kind.cc
extension/export_compute_modified_transition_moments.cc
extension/export_compute_one_particle_densities.cc
extension/export_guesses.cc
extension/export_threading.cc
extension/hartree_fock_solution_hack.hh
extension/util.cc
extension/util.hh
extension/adccore/adccore_config.json
extension/adccore/include/adcc/AdcIntermediates.hh
extension/adccore/include/adcc/AdcMatrix.hh
extension/adccore/include/adcc/AdcMemory.hh
extension/adccore/include/adcc/AmplitudeVector.hh
extension/adccore/include/adcc/AxisInfo.hh
extension/adccore/include/adcc/CachingPolicy.hh
extension/adccore/include/adcc/HartreeFockSolution_i.hh
extension/adccore/include/adcc/LazyMp.hh
extension/adccore/include/adcc/MoIndexTranslation.hh
extension/adccore/include/adcc/MoSpaces.hh
extension/adccore/include/adcc/OneParticleOperator.hh
extension/adccore/include/adcc/ReferenceState.hh
extension/adccore/include/adcc/Symmetry.hh
extension/adccore/include/adcc/Tensor.hh
extension/adccore/include/adcc/ThreadPool.hh
extension/adccore/include/adcc/Timer.hh
extension/adccore/include/adcc/amplitude_vector_enforce_spin_kind.hh
extension/adccore/include/adcc/compute_gs2state_optdm.hh
extension/adccore/include/adcc/compute_modified_transition_moments.hh
extension/adccore/include/adcc/compute_state2state_optdm.hh
extension/adccore/include/adcc/compute_state_diffdm.hh
extension/adccore/include/adcc/config.hh
extension/adccore/include/adcc/exceptions.hh
extension/adccore/include/adcc/guess_zero.hh
extension/adccore/include/adcc/guesses_from_diagonal.hh
extension/adccore/include/adcc/make_symmetry.hh
extension/adccore/include/adcc/metadata.hh
extension/adccore/include/adcc/AdcMatrix/AdcMatrixCoreBase.hh