GitHub - xiangyunbin/quantum

Name		Name	Last commit message	Last commit date
Latest commit History 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