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Searched refs:xdm_rhop (Results 1 – 2 of 2) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_xdm.F430 double precision xdm_rhop
431 external xdm_rhop
539 rhoi = xdm_rhop(iz,r)
611 function xdm_rhop(iz,r) function
973 xdm_rhop = rc1(iz) * exp(-r/zeta1(iz))
975 xdm_rhop = xdm_rhop + rc2(iz) * exp(-r/zeta2(iz))
977 xdm_rhop = xdm_rhop + rc3(iz) * exp(-r/zeta3(iz))
979 xdm_rhop = xdm_rhop + rc4(iz) * exp(-r/zeta4(iz))
981 xdm_rhop = xdm_rhop + rc5(iz) * exp(-r/zeta5(iz))
983 xdm_rhop = xdm_rhop + rc6(iz) * exp(-r/zeta6(iz))
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_xdm.F430 double precision xdm_rhop
431 external xdm_rhop
539 rhoi = xdm_rhop(iz,r)
611 function xdm_rhop(iz,r) function
973 xdm_rhop = rc1(iz) * exp(-r/zeta1(iz))
975 xdm_rhop = xdm_rhop + rc2(iz) * exp(-r/zeta2(iz))
977 xdm_rhop = xdm_rhop + rc3(iz) * exp(-r/zeta3(iz))
979 xdm_rhop = xdm_rhop + rc4(iz) * exp(-r/zeta4(iz))
981 xdm_rhop = xdm_rhop + rc5(iz) * exp(-r/zeta5(iz))
983 xdm_rhop = xdm_rhop + rc6(iz) * exp(-r/zeta6(iz))
[all …]