All modules for which code is available
- qmctorch.sampler.generalized_metropolis
- qmctorch.sampler.hamiltonian
- qmctorch.sampler.metropolis
- qmctorch.sampler.sampler_base
- qmctorch.sampler.walkers
- qmctorch.scf.calculator.adf
- qmctorch.scf.calculator.calculator_base
- qmctorch.scf.calculator.pyscf
- qmctorch.scf.molecule
- qmctorch.utils.algebra_utils
- qmctorch.utils.hdf5_utils
- qmctorch.utils.interpolate
- qmctorch.utils.plot_data
- qmctorch.utils.provenance
- qmctorch.utils.stat_utils
- qmctorch.utils.torch_utils
- qmctorch.wavefunction.jastrows.combine_jastrow
- qmctorch.wavefunction.jastrows.distance.electron_electron_distance
- qmctorch.wavefunction.jastrows.distance.electron_nuclei_distance
- qmctorch.wavefunction.jastrows.distance.scaling
- qmctorch.wavefunction.jastrows.elec_elec.jastrow_factor_electron_electron
- qmctorch.wavefunction.jastrows.elec_elec.kernels.double_fully_connected_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_elec.kernels.fully_connected_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_elec.kernels.jastrow_kernel_electron_electron_base
- qmctorch.wavefunction.jastrows.elec_elec.kernels.pade_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_elec.kernels.pade_jastrow_polynomial_kernel
- qmctorch.wavefunction.jastrows.elec_elec_nuclei.jastrow_factor_electron_electron_nuclei
- qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.boys_handy_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.fully_connected_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.jastrow_kernel_electron_electron_nuclei_base
- qmctorch.wavefunction.jastrows.elec_nuclei.jastrow_factor_electron_nuclei
- qmctorch.wavefunction.jastrows.elec_nuclei.kernels.fully_connected_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_nuclei.kernels.jastrow_kernel_electron_nuclei_base
- qmctorch.wavefunction.jastrows.elec_nuclei.kernels.pade_jastrow_kernel
- qmctorch.wavefunction.jastrows.elec_nuclei.kernels.quadratic_pade_kernel
- qmctorch.wavefunction.orbitals.atomic_orbitals
- qmctorch.wavefunction.orbitals.atomic_orbitals_backflow
- qmctorch.wavefunction.orbitals.backflow.backflow_transformation
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_autodiff_inverse
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_base
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_exp
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_fully_connected
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_inverse
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_power_sum
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_rbf
- qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_square
- qmctorch.wavefunction.orbitals.molecular_orbitals
- qmctorch.wavefunction.orbitals.norm_orbital
- qmctorch.wavefunction.orbitals.radial_functions
- qmctorch.wavefunction.orbitals.spherical_harmonics
- qmctorch.wavefunction.pooling.orbital_configurations
- qmctorch.wavefunction.pooling.orbital_projector
- qmctorch.wavefunction.pooling.slater_pooling
- qmctorch.wavefunction.slater_jastrow
- qmctorch.wavefunction.wf_base
- torch