Lines Matching refs:grad_rho

372   REAL(DP), ALLOCATABLE :: grad_rho(:,:)         ! The gradient of the charge density. The  local
422 allocate( total_rho(dfftp%nnr), grad_rho(3,dfftp%nnr), &
439 CALL fft_gradient_r2r (dfftp, total_rho, g, grad_rho)
450 CALL get_q0_on_grid (total_rho, grad_rho, q0, dq0_drho, dq0_dgradrho, thetas)
484 CALL vdW_DF_potential (q0, dq0_drho, dq0_dgradrho, grad_rho, thetas, potential)
497 DEALLOCATE ( total_rho, grad_rho, potential, thetas, q0, dq0_drho, dq0_dgradrho )
541 REAL(DP), ALLOCATABLE :: grad_rho(:,:) ! The gradient of the charge density. The local
603 grad_rho(3,dfftp%nnr), grad_rho_up(3,dfftp%nnr), grad_rho_down(3,dfftp%nnr), &
629 CALL fft_gradient_r2r (dfftp, total_rho, g, grad_rho)
643 CALL get_q0_on_grid_spin (total_rho, rho_up, rho_down, grad_rho, &
698 DEALLOCATE( total_rho, rho_up, rho_down, grad_rho, grad_rho_up, grad_rho_down, &
724 SUBROUTINE get_q0_on_grid (total_rho, grad_rho, q0, dq0_drho, dq0_dgradrho, thetas) argument
728 REAL(DP), INTENT(IN) :: total_rho(:), grad_rho(:,:) ! Input variables needed. local
779 s = SQRT( grad_rho(1,i_grid)**2 + grad_rho(2,i_grid)**2 + grad_rho(3,i_grid)**2 ) / &
864 SUBROUTINE get_q0_on_grid_spin (total_rho, rho_up, rho_down, grad_rho, & argument
870 REAL(DP), INTENT(IN) :: total_rho(:), grad_rho(:,:) ! Input variables. local
1234 SUBROUTINE vdW_DF_potential (q0, dq0_drho, dq0_dgradrho, grad_rho, u_vdW, potential) argument
1241 REAL(DP), INTENT(IN) :: q0(:), grad_rho(:,:) ! Input arrays holding the value of q0 for local
1355 h(:) = CMPLX( h_prefactor(:) * grad_rho(icar,:), 0.0_DP, kind=dp )
1358 gradient2 = grad_rho(1,i_grid)**2 + grad_rho(2,i_grid)**2 + grad_rho(3,i_grid)**2
1689 REAL(DP), ALLOCATABLE :: grad_rho(:,:) ! local
1744 ALLOCATE( total_rho(dfftp%nnr), grad_rho(3,dfftp%nnr), thetas(dfftp%nnr, Nqs), q0(dfftp%nnr) )
1773 CALL fft_gradient_r2r (dfftp, total_rho, g, grad_rho)
1786 CALL get_q0_on_grid (total_rho, grad_rho, q0, dq0_drho, dq0_dgradrho, thetas)
1789 CALL get_q0_on_grid (total_rho, grad_rho, q0, dq0_drho, dq0_dgradrho, thetas)
1791 CALL get_q0_on_grid_spin ( total_rho, rho_up, rho_down, grad_rho, grad_rho_up, grad_rho_down, &
1800 CALL vdW_DF_stress_gradient (total_rho, grad_rho, q0, dq0_drho, dq0_dgradrho, &
1804 CALL vdW_DF_stress_gradient (total_rho, grad_rho, q0, dq0_drho, dq0_dgradrho, &
1824 DEALLOCATE( total_rho, grad_rho, thetas, q0 )
1990 SUBROUTINE vdW_DF_stress_gradient (total_rho, grad_rho, q0, & argument
1999 REAL(DP), INTENT(IN) :: grad_rho(:, :) ! local
2062 grad2 = sqrt( grad_rho(1,i_grid)**2 + grad_rho(2,i_grid)**2 + grad_rho(3,i_grid)**2 )
2103 (grad_rho(l,i_grid) * grad_rho(m,i_grid))