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- codes/eneden/Ajb_mpn.pytorch.py 91 additions, 0 deletionscodes/eneden/Ajb_mpn.pytorch.py
- codes/eneden/__pycache__/rho_calcu.cpython-37.pyc 0 additions, 0 deletionscodes/eneden/__pycache__/rho_calcu.cpython-37.pyc
- codes/eneden/int2el_mp2-pytorch.cpu.py 62 additions, 0 deletionscodes/eneden/int2el_mp2-pytorch.cpu.py
- codes/eneden/int2el_mp2-pytorch.gpu.py 63 additions, 0 deletionscodes/eneden/int2el_mp2-pytorch.gpu.py
- codes/eneden/int2el_mp3-pytorch.cpu.py 90 additions, 0 deletionscodes/eneden/int2el_mp3-pytorch.cpu.py
- codes/eneden/int2el_mp3-pytorch.gpu.py 84 additions, 0 deletionscodes/eneden/int2el_mp3-pytorch.gpu.py
- codes/eneden/int2el_mp4-pytorch.cpu-j.mat.py 915 additions, 0 deletionscodes/eneden/int2el_mp4-pytorch.cpu-j.mat.py
- codes/eneden/int2el_mp4-pytorch.gpu-j.mat.py 915 additions, 0 deletionscodes/eneden/int2el_mp4-pytorch.gpu-j.mat.py
- codes/eneden/prepare_Ajb.cpu.py 294 additions, 0 deletionscodes/eneden/prepare_Ajb.cpu.py
- codes/eneden/prepare_Ajb.gpu.py 320 additions, 0 deletionscodes/eneden/prepare_Ajb.gpu.py
- codes/eneden/rho_calcu.py 218 additions, 0 deletionscodes/eneden/rho_calcu.py
- codes/prep/Becke_grid.py 122 additions, 0 deletionscodes/prep/Becke_grid.py
- codes/prep/__pycache__/rho_calcu.cpython-37.pyc 0 additions, 0 deletionscodes/prep/__pycache__/rho_calcu.cpython-37.pyc
- codes/prep/mdf_hdf5_molden.py 32 additions, 0 deletionscodes/prep/mdf_hdf5_molden.py
- codes/prep/molden2aim.exe 0 additions, 0 deletionscodes/prep/molden2aim.exe
- codes/prep/read_fcidump-psi4.py 103 additions, 0 deletionscodes/prep/read_fcidump-psi4.py
- codes/prep/read_fcidump-psi4_mem.py 105 additions, 0 deletionscodes/prep/read_fcidump-psi4_mem.py
- codes/prep/read_wfn.py 133 additions, 0 deletionscodes/prep/read_wfn.py
- codes/prep/rho_Becke_grid.py 307 additions, 0 deletionscodes/prep/rho_Becke_grid.py
- codes/prep/rho_calcu.py 218 additions, 0 deletionscodes/prep/rho_calcu.py
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