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Searched refs:e_ndrhob (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_libxc.F616 e_ndrhoa_tau_b, e_ndrhob local
684 e_ndrhob => dummy
768 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
784 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
1059 e_ndrhoa=e_ndrhoa, e_ndrhob=e_ndrhob, e_laplace_rhoa=e_laplace_rhoa, &
1804 e_ndrhob(ii) = e_ndrhob(ii) + &
1835 e_ndrhob(ii) = e_ndrhob(ii) + &
1924 e_ndrhob(ii) = e_ndrhob(ii) + &
2016 e_ndrhob(ii) = e_ndrhob(ii) + &
2063 e_ndrhob(ii) = e_ndrhob(ii) + &
[all …]
H A Dxc_cs1.F248 … REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: e_0, e_ndrhoa, e_ndrhob, e_rhoa, e_rhob, & local
287 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
290 rhoa_1_3, rhob_1_3, e_rhoa, e_rhob, e_ndrhoa, e_ndrhob, &
674 e_rhob, e_ndrhoa, e_ndrhob, npoints) argument
677 REAL(KIND=dp), DIMENSION(*), INTENT(INOUT) :: e_rhoa, e_rhob, e_ndrhoa, e_ndrhob local
737 e_ndrhob(ip) = e_ndrhob(ip) + dgF2b
H A Dxc_xbr_pbe_lda_hole_t_c_lr.F459 e_ndrhoa, e_ndrhob, e_rhoa, e_rhob, e_tau_a, e_tau_b, laplace_rhoa, laplace_rhob, & local
483 e_ndrhob => dummy
507 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
550 … laplace_rho=laplace_rhob, tau=tau_b, e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, &
H A Dxc_tpss.F259 REAL(kind=dp), DIMENSION(:, :, :), POINTER :: dummy, e_0, e_ndrho, e_ndrhoa, e_ndrhob, & local
284 e_ndrhob => dummy
309 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
336 e_ndrhoa=e_ndrhoa, e_ndrhob=e_ndrhob, e_ndrho=e_ndrho, &
908 … tau_a, tau_b, e_0, e_rhoa, e_rhob, e_ndrhoa, e_ndrhob, e_ndrho, e_tau_a, e_tau_b, & argument
913 … REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rhoa, e_rhob, e_ndrhoa, e_ndrhob, & local
1733 e_ndrhob(ii) = e_ndrhob(ii) + &
H A Dxc_xpbe_hole_t_c_lr.F318 … REAL(kind=dp), DIMENSION(:, :, :), POINTER :: dummy, e_0, e_ndrhoa, e_ndrhob, e_rhoa, & local
345 e_ndrhob => dummy
364 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
383 e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, &
H A Dxc_xbecke_roussel.F385 e_ndrhoa, e_ndrhob, e_rhoa, e_rhob, e_tau_a, e_tau_b, laplace_rhoa, laplace_rhob, & local
409 e_ndrhob => dummy
433 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
472 … laplace_rho=laplace_rhob, tau=tau_b, e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, &
H A Dxc_xwpbe.F5261 e_ndrhoa_rhoa, e_ndrhob, e_ndrhob_ndrhob, e_ndrhob_rhob, e_rhoa, e_rhoa_rhoa, e_rhob, & local
5291 e_ndrhob => dummy
5316 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
5357 e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, e_rho_rho=e_rhob_rhob, &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_libxc.F616 e_ndrhoa_tau_b, e_ndrhob local
684 e_ndrhob => dummy
768 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
784 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
1059 e_ndrhoa=e_ndrhoa, e_ndrhob=e_ndrhob, e_laplace_rhoa=e_laplace_rhoa, &
1803 e_ndrhob(ii) = e_ndrhob(ii) + &
1834 e_ndrhob(ii) = e_ndrhob(ii) + &
1923 e_ndrhob(ii) = e_ndrhob(ii) + &
2015 e_ndrhob(ii) = e_ndrhob(ii) + &
2062 e_ndrhob(ii) = e_ndrhob(ii) + &
[all …]
H A Dxc_cs1.F248 … REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: e_0, e_ndrhoa, e_ndrhob, e_rhoa, e_rhob, & local
287 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
290 rhoa_1_3, rhob_1_3, e_rhoa, e_rhob, e_ndrhoa, e_ndrhob, &
674 e_rhob, e_ndrhoa, e_ndrhob, npoints) argument
677 REAL(KIND=dp), DIMENSION(*), INTENT(INOUT) :: e_rhoa, e_rhob, e_ndrhoa, e_ndrhob local
737 e_ndrhob(ip) = e_ndrhob(ip) + dgF2b
H A Dxc_xbr_pbe_lda_hole_t_c_lr.F459 e_ndrhoa, e_ndrhob, e_rhoa, e_rhob, e_tau_a, e_tau_b, laplace_rhoa, laplace_rhob, & local
483 e_ndrhob => dummy
507 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
550 … laplace_rho=laplace_rhob, tau=tau_b, e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, &
H A Dxc_tpss.F259 REAL(kind=dp), DIMENSION(:, :, :), POINTER :: dummy, e_0, e_ndrho, e_ndrhoa, e_ndrhob, & local
284 e_ndrhob => dummy
309 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
336 e_ndrhoa=e_ndrhoa, e_ndrhob=e_ndrhob, e_ndrho=e_ndrho, &
908 … tau_a, tau_b, e_0, e_rhoa, e_rhob, e_ndrhoa, e_ndrhob, e_ndrho, e_tau_a, e_tau_b, & argument
913 … REAL(kind=dp), DIMENSION(*), INTENT(inout) :: e_0, e_rhoa, e_rhob, e_ndrhoa, e_ndrhob, & local
1733 e_ndrhob(ii) = e_ndrhob(ii) + &
H A Dxc_xpbe_hole_t_c_lr.F318 … REAL(kind=dp), DIMENSION(:, :, :), POINTER :: dummy, e_0, e_ndrhoa, e_ndrhob, e_rhoa, & local
345 e_ndrhob => dummy
364 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
383 e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, &
H A Dxc_xbecke_roussel.F385 e_ndrhoa, e_ndrhob, e_rhoa, e_rhob, e_tau_a, e_tau_b, laplace_rhoa, laplace_rhob, & local
409 e_ndrhob => dummy
433 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
472 … laplace_rho=laplace_rhob, tau=tau_b, e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, &
H A Dxc_xwpbe.F5261 e_ndrhoa_rhoa, e_ndrhob, e_ndrhob_ndrhob, e_ndrhob_rhob, e_rhoa, e_rhoa_rhoa, e_rhob, & local
5291 e_ndrhob => dummy
5316 CALL xc_derivative_get(deriv, deriv_data=e_ndrhob)
5357 e_0=e_0, e_rho=e_rhob, e_ndrho=e_ndrhob, e_rho_rho=e_rhob_rhob, &