NLESC-JCER / QMCTorch

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master: 87%

LAST BUILD ON BRANCH dft_backend

branch: dft_backend

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• dft_backend
• FermiNet
• Fix-DOI-paper
• NicoRenaud-codacy
• NicoRenaud-paper-patch-1
• Review-Tony
• TestHvdCI
• adf2023_calc
• atomicorbital_backflow
• backflow_kwargs
• batching
• black_main
• boys_handy
• bump_action
• clean_kinetic
• clean_up_main
• cleanup_hess_grad
• clip_fix
• combined_jastrow
• compare_backflow_basline
• create_graph_false
• data_loader
• demo_excited_dets
• dev_black
• dev_update
• development
• egnn_jastrow
• fft-corr-coef
• fix_anthony_mol
• fix_backflow
• fix_clipp_2
• fix_grad_slaterjastrow
• fix_master_23
• fix_memory
• fix_odbf_switch
• fix_qmctorchfile_name
• fix_random_generator
• gpu_tunning
• graph_jastrow
• graph_jastrow_2025
• improve-hamoltonian-monte-carlo
• issue100_process_position
• issue101_kineticpooling
• issue150_dimensions
• issue154_int_norm_orb
• issue167
• issue170
• issue175
• jastrow_args
• langevin_sampler
• lean_sampler
• log_loss
• logspace_sampling
• main
• master
• mpi4py_optional
• numerical_forces
• optimize_sampling
• optional_pyscf
• paper
• qmctorch_ase_calc
• refac_kinetic_backflow
• refac_obs
• review_paper
• sampling-tests
• separate_backflow
• spin
• symmetry
• typehints
• typo-fix
• unify_slaterjastrow
• v0.3.0
• v0.3.2
• v0.3.3

added dft to adf (untested)