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elekezem
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quantum_scf
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2 Commits
2 Commits
C_STO-3G
C_STO-3G
DFTxclib.F
DFTxclib.F
H_STO-3G
H_STO-3G
README.md
README.md
c6h6.txt
c6h6.txt
ch4.txt
ch4.txt
h2.txt
h2.txt
lebedev_quadrature.f90
lebedev_quadrature.f90
m_atoms.f90
m_atoms.f90
m_basis.f90
m_basis.f90
m_definitions.f90
m_definitions.f90
m_dft_grid.f90
m_dft_grid.f90
m_dft_xc.f90
m_dft_xc.f90
m_eri.f90
m_eri.f90
m_hamilton.f90
m_hamilton.f90
m_rysquad.f90
m_rysquad.f90
m_rysroot.f90
m_rysroot.f90
m_shells.f90
m_shells.f90
m_tools.f90
m_tools.f90
main.f90
main.f90
main_grid.f90
main_grid.f90
makefile
makefile
out.txt
out.txt
out_grid.txt
out_grid.txt
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