/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_libxc.F | 616 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 …]
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H A D | xc_cs1.F | 248 … 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
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H A D | xc_xbr_pbe_lda_hole_t_c_lr.F | 459 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, &
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H A D | xc_tpss.F | 259 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) + &
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H A D | xc_xpbe_hole_t_c_lr.F | 318 … 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, &
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H A D | xc_xbecke_roussel.F | 385 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, &
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H A D | xc_xwpbe.F | 5261 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, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_libxc.F | 616 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 …]
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H A D | xc_cs1.F | 248 … 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
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H A D | xc_xbr_pbe_lda_hole_t_c_lr.F | 459 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, &
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H A D | xc_tpss.F | 259 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) + &
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H A D | xc_xpbe_hole_t_c_lr.F | 318 … 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, &
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H A D | xc_xbecke_roussel.F | 385 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, &
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H A D | xc_xwpbe.F | 5261 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, &
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