Searched refs:edispersion (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | kg_energy_corrections.F | 160 ec_env%edispersion = 0.0_dp 778 ec_env%edispersion = ec_env%edispersion + energy 798 … ec_env%etotal = ec_env%eband + ec_env%ehartree + ec_env%exc - ec_env%vhxc + ec_env%edispersion 805 WRITE (unit_nr, '(T2,A,T16,F16.10)') "Edisp ", ec_env%edispersion
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H A D | kg_environment_types.F | 68 REAL(KIND=dp) :: edispersion component
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H A D | qs_dispersion_nonloc.F | 169 SUBROUTINE calculate_dispersion_nonloc(vxc_rho, rho_r, rho_g, edispersion, & argument 172 REAL(KIND=dp), INTENT(OUT) :: edispersion local 433 edispersion = Ec_nl
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | kg_environment_types.F | 67 REAL(KIND=dp) :: edispersion component
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H A D | ec_env_types.F | 64 REAL(KIND=dp) :: edispersion, efield_nuclear component
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H A D | energy_corrections.F | 231 ec_env%edispersion = 0.0_dp 364 IF (.NOT. calculate_forces) ec_env%edispersion = ec_env%edispersion + edisp 1620 … ec_env%etotal = ec_env%eband + ec_env%ehartree + ec_env%exc - ec_env%vhxc + ec_env%edispersion 1626 WRITE (unit_nr, '(T3,A,T65,F16.10)') "Edisp ", ec_env%edispersion
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H A D | qs_dispersion_nonloc.F | 169 SUBROUTINE calculate_dispersion_nonloc(vxc_rho, rho_r, rho_g, edispersion, & argument 172 REAL(KIND=dp), INTENT(OUT) :: edispersion local 433 edispersion = Ec_nl
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/dports/math/R-cran-VGAM/VGAM/man/ |
H A D | double.expbinomial.Rd | 74 assigning the arguments \code{ldispersion} and \code{edispersion}.
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