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Searched defs:zneff (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxtb_types.F60 REAL(KIND=dp) :: zneff !effective core charge for repulsion potential component
177 … rcut, rcov, kx, eta, xgamma, alpha, zneff, nshell, nval, lval, kpoly, kappa, & argument
189 … REAL(KIND=dp), INTENT(OUT), OPTIONAL :: rcut, rcov, kx, eta, xgamma, alpha, zneff local
263 … rcut, rcov, kx, eta, xgamma, alpha, zneff, nshell, nval, lval, kpoly, kappa, & argument
274 … REAL(KIND=dp), INTENT(IN), OPTIONAL :: rcut, rcov, kx, eta, xgamma, alpha, zneff local
335 REAL(KIND=dp) :: alpha, en, eta, xgamma, zneff local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxtb_types.F60 REAL(KIND=dp) :: zneff !effective core charge for repulsion potential component
177 … rcut, rcov, kx, eta, xgamma, alpha, zneff, nshell, nval, lval, kpoly, kappa, & argument
189 … REAL(KIND=dp), INTENT(OUT), OPTIONAL :: rcut, rcov, kx, eta, xgamma, alpha, zneff local
263 … rcut, rcov, kx, eta, xgamma, alpha, zneff, nshell, nval, lval, kpoly, kappa, & argument
274 … REAL(KIND=dp), INTENT(IN), OPTIONAL :: rcut, rcov, kx, eta, xgamma, alpha, zneff local
335 REAL(KIND=dp) :: alpha, en, eta, xgamma, zneff local