/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_xbeef.F | 391 e_ndrho_spin=e_ndrho(ispin)%array, & 420 e_rho_spin, e_ndrho_spin, grad_deriv, npoints, epsilon_rho, sx) argument 422 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin local 494 e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx
|
H A D | xc_xbecke88.F | 777 e_ndrho_spin=e_ndrho(ispin)%array, & 822 e_rho_spin, e_ndrho_spin, e_rho_rho_spin, e_ndrho_rho_spin, & argument 827 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin, e_rho_rho_spin, & local 907 e_ndrho_spin(ii) = e_ndrho_spin(ii) & 952 e_ndrho_spin(ii) = e_ndrho_spin(ii) &
|
H A D | xc_xbecke88_long_range.F | 986 e_ndrho_spin=e_ndrho(ispin)%array, & 1033 e_rho_spin, e_ndrho_spin, e_rho_rho_spin, e_ndrho_rho_spin, & argument 1039 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin, e_rho_rho_spin, & local 1200 … e_ndrho_spin(ii) = e_ndrho_spin(ii) + (-0.3333333336e0_dp*t68*t173 - 0.2222222224e0_dp*t24*t98 &
|
H A D | xc_xbecke88_lr_adiabatic.F | 2997 e_ndrho_spin=e_ndrho(ispin)%array, & 3043 … e_rho_spin, e_ndrho_spin, e_rho_rho_spin, e_ndrho_rho_spin, & argument 3049 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin, e_rho_rho_spin, & local 3567 … e_ndrho_spin(ii) = e_ndrho_spin(ii) + (-0.6666666672e0_dp*t217*t46*t78*t561 - 0.4444444448e0_dp &
|
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_xbeef.F | 391 e_ndrho_spin=e_ndrho(ispin)%array, & 420 e_rho_spin, e_ndrho_spin, grad_deriv, npoints, epsilon_rho, sx) argument 422 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin local 494 e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx
|
H A D | xc_xbecke88.F | 777 e_ndrho_spin=e_ndrho(ispin)%array, & 822 e_rho_spin, e_ndrho_spin, e_rho_rho_spin, e_ndrho_rho_spin, & argument 827 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin, e_rho_rho_spin, & local 907 e_ndrho_spin(ii) = e_ndrho_spin(ii) & 952 e_ndrho_spin(ii) = e_ndrho_spin(ii) &
|
H A D | xc_xbecke88_long_range.F | 986 e_ndrho_spin=e_ndrho(ispin)%array, & 1033 e_rho_spin, e_ndrho_spin, e_rho_rho_spin, e_ndrho_rho_spin, & argument 1039 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin, e_rho_rho_spin, & local 1200 … e_ndrho_spin(ii) = e_ndrho_spin(ii) + (-0.3333333336e0_dp*t68*t173 - 0.2222222224e0_dp*t24*t98 &
|
H A D | xc_xbecke88_lr_adiabatic.F | 2997 e_ndrho_spin=e_ndrho(ispin)%array, & 3043 … e_rho_spin, e_ndrho_spin, e_rho_rho_spin, e_ndrho_rho_spin, & argument 3049 REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rho_spin, e_ndrho_spin, e_rho_rho_spin, & local 3567 … e_ndrho_spin(ii) = e_ndrho_spin(ii) + (-0.6666666672e0_dp*t217*t46*t78*t561 - 0.4444444448e0_dp &
|