LICENSE
MANIFEST.in
NOTICE
README.md
setup.cfg
setup.py
bin/qmctorch
qmctorch/__init__.py
qmctorch/__version__.py
qmctorch.egg-info/PKG-INFO
qmctorch.egg-info/SOURCES.txt
qmctorch.egg-info/dependency_links.txt
qmctorch.egg-info/not-zip-safe
qmctorch.egg-info/requires.txt
qmctorch.egg-info/top_level.txt
qmctorch/sampler/__init__.py
qmctorch/sampler/generalized_metropolis.py
qmctorch/sampler/hamiltonian.py
qmctorch/sampler/metropolis.py
qmctorch/sampler/sampler_base.py
qmctorch/sampler/walkers.py
qmctorch/scf/__init__.py
qmctorch/scf/molecule.py
qmctorch/scf/calculator/__init__.py
qmctorch/scf/calculator/adf.py
qmctorch/scf/calculator/calculator_base.py
qmctorch/scf/calculator/pyscf.py
qmctorch/solver/__init__.py
qmctorch/solver/solver.py
qmctorch/solver/solver_base.py
qmctorch/solver/solver_mpi.py
qmctorch/utils/__init__.py
qmctorch/utils/algebra_utils.py
qmctorch/utils/hdf5_utils.py
qmctorch/utils/interpolate.py
qmctorch/utils/plot_data.py
qmctorch/utils/stat_utils.py
qmctorch/utils/torch_utils.py
qmctorch/wavefunction/__init__.py
qmctorch/wavefunction/slater_combined_jastrow.py
qmctorch/wavefunction/slater_combined_jastrow_backflow.py
qmctorch/wavefunction/slater_jastrow.py
qmctorch/wavefunction/slater_jastrow_backflow.py
qmctorch/wavefunction/slater_jastrow_base.py
qmctorch/wavefunction/slater_orbital_dependent_jastrow.py
qmctorch/wavefunction/wf_base.py
qmctorch/wavefunction/jastrows/__init__.py
qmctorch/wavefunction/jastrows/jastrow_factor_combined_terms.py
qmctorch/wavefunction/jastrows/distance/__init__.py
qmctorch/wavefunction/jastrows/distance/electron_electron_distance.py
qmctorch/wavefunction/jastrows/distance/electron_nuclei_distance.py
qmctorch/wavefunction/jastrows/distance/scaling.py
qmctorch/wavefunction/jastrows/elec_elec/__init__.py
qmctorch/wavefunction/jastrows/elec_elec/jastrow_factor_electron_electron.py
qmctorch/wavefunction/jastrows/elec_elec/orbital_dependent_jastrow_kernel.py
qmctorch/wavefunction/jastrows/elec_elec/kernels/__init__.py
qmctorch/wavefunction/jastrows/elec_elec/kernels/fully_connected_jastrow_kernel.py
qmctorch/wavefunction/jastrows/elec_elec/kernels/jastrow_kernel_electron_electron_base.py
qmctorch/wavefunction/jastrows/elec_elec/kernels/pade_jastrow_kernel.py
qmctorch/wavefunction/jastrows/elec_elec/kernels/pade_jastrow_polynomial_kernel.py
qmctorch/wavefunction/jastrows/elec_elec_nuclei/__init__.py
qmctorch/wavefunction/jastrows/elec_elec_nuclei/jastrow_factor_electron_electron_nuclei.py
qmctorch/wavefunction/jastrows/elec_elec_nuclei/kernels/__init__.py
qmctorch/wavefunction/jastrows/elec_elec_nuclei/kernels/boys_handy_jastrow_kernel.py
qmctorch/wavefunction/jastrows/elec_elec_nuclei/kernels/fully_connected_jastrow_kernel.py
qmctorch/wavefunction/jastrows/elec_elec_nuclei/kernels/jastrow_kernel_electron_electron_nuclei_base.py
qmctorch/wavefunction/jastrows/elec_nuclei/__init__.py
qmctorch/wavefunction/jastrows/elec_nuclei/jastrow_factor_electron_nuclei.py
qmctorch/wavefunction/jastrows/elec_nuclei/kernels/__init__.py
qmctorch/wavefunction/jastrows/elec_nuclei/kernels/fully_connected_jastrow_kernel.py
qmctorch/wavefunction/jastrows/elec_nuclei/kernels/jastrow_kernel_electron_nuclei_base.py
qmctorch/wavefunction/jastrows/elec_nuclei/kernels/pade_jastrow_kernel.py
qmctorch/wavefunction/orbitals/__init__.py
qmctorch/wavefunction/orbitals/atomic_orbitals.py
qmctorch/wavefunction/orbitals/atomic_orbitals_backflow.py
qmctorch/wavefunction/orbitals/atomic_orbitals_orbital_dependent_backflow.py
qmctorch/wavefunction/orbitals/norm_orbital.py
qmctorch/wavefunction/orbitals/radial_functions.py
qmctorch/wavefunction/orbitals/spherical_harmonics.py
qmctorch/wavefunction/orbitals/backflow/__init__.py
qmctorch/wavefunction/orbitals/backflow/backflow_transformation.py
qmctorch/wavefunction/orbitals/backflow/orbital_dependent_backflow_kernel.py
qmctorch/wavefunction/orbitals/backflow/orbital_dependent_backflow_transformation.py
qmctorch/wavefunction/orbitals/backflow/kernels/__init__.py
qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_autodiff_inverse.py
qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_base.py
qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_fully_connected.py
qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_inverse.py
qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_power_sum.py
qmctorch/wavefunction/orbitals/backflow/kernels/backflow_kernel_square.py
qmctorch/wavefunction/pooling/__init__.py
qmctorch/wavefunction/pooling/orbital_configurations.py
qmctorch/wavefunction/pooling/orbital_projector.py
qmctorch/wavefunction/pooling/slater_pooling.py
tests/__init__.py
tests/path_utils.py
tests/sampler/__init__.py
tests/sampler/test_generalized_metropolis.py
tests/sampler/test_hamiltonian.py
tests/sampler/test_metropolis.py
tests/sampler/test_sampler_base.py
tests/sampler/test_walker.py
tests/scf/__init__.py
tests/scf/test_gto2sto_fit.py
tests/scf/test_molecule.py
tests/solver/__init__.py
tests/solver/test_h2.py
tests/solver/test_h2_adf.py
tests/solver/test_h2_adf_jacobi.py
tests/solver/test_h2_correlated.py
tests/solver/test_h2_stats.py
tests/solver/test_lih.py
tests/solver/test_lih_adf_backflow.py
tests/solver/test_lih_correlated.py
tests/solver/test_lih_generic_jastrow.py
tests/solver/test_lih_pyscf_backflow.py
tests/solver/test_lih_pyscf_compare_backflow.py
tests/solver/test_lih_pyscf_generic_backflow.py
tests/solver/test_lih_pyscf_orbital_dependent_backflow.py
tests/wavefunction/__init__.py
tests/wavefunction/test_compare_slaterjastrow_backflow.py
tests/wavefunction/test_compare_slaterjastrow_orbital_dependent_backflow.py
tests/wavefunction/test_slater_orbital_dependent_jastrow.py
tests/wavefunction/test_slatercombinedjastrow.py
tests/wavefunction/test_slatercombinedjastrow_backflow.py
tests/wavefunction/test_slaterjastrow.py
tests/wavefunction/test_slaterjastrow_backflow.py
tests/wavefunction/test_slaterjastrow_cas.py
tests/wavefunction/test_slaterjastrow_ee_cusp.py
tests/wavefunction/test_slaterjastrow_generic.py
tests/wavefunction/test_slaterjastrow_orbital_dependent_backflow.py
tests/wavefunction/orbitals/__init__.py
tests/wavefunction/orbitals/second_derivative.py
tests/wavefunction/orbitals/test_ao_derivatives_adf.py
tests/wavefunction/orbitals/test_ao_derivatives_pyscf.py
tests/wavefunction/orbitals/test_ao_values_adf.py
tests/wavefunction/orbitals/test_ao_values_pyscf.py
tests/wavefunction/orbitals/test_backflow_ao_derivatives_pyscf.py
tests/wavefunction/orbitals/test_cartesian_harmonics.py
tests/wavefunction/orbitals/test_cartesian_harmonics_adf.py
tests/wavefunction/orbitals/test_mo_values_adf.py
tests/wavefunction/orbitals/test_norm.py
tests/wavefunction/orbitals/test_orbital_dependent_backflow_ao_derivatives_pyscf.py
tests/wavefunction/orbitals/test_radial_functions.py
tests/wavefunction/orbitals/test_radial_gto.py
tests/wavefunction/orbitals/test_radial_sto.py
tests/wavefunction/orbitals/test_spherical_harmonics.py
tests_hvd/__init__.py
tests_hvd/test_h2_hvd.py
tests_hvd/test_hvd.py