| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | xc_vdW_scale_mod.f90 | 116 real(dp), allocatable :: grad_rho(:,:) ! The gradient of the charge density. The local
242 real(dp), allocatable :: grad_rho(:,:) ! The gradient of the charge density. The local
367 SUBROUTINE get_q0cc_on_grid (cc,lecnl_qx,total_rho, grad_rho, q0, thetas) argument
376 real(dp), intent(IN) :: total_rho(:), grad_rho(:,:) ! Input variables needed local
492 SUBROUTINE get_q0cc_on_grid_spin (cc,lecnl_qx,total_rho, rho_up, rho_down, grad_rho, & argument
502 real(dp), intent(IN) :: total_rho(:), grad_rho(:,:) ! Input variables. local
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| H A D | ppacf.f90 | 136 REAL(DP), ALLOCATABLE :: tot_grad_rho(:,:), grad_rho(:,:,:) variable
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| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | XCFunctional.h | 67 double *grad_rho[3], *grad_rho_up[3], *grad_rho_dn[3]; variable
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| H A D | testXCFunctional.cpp | 62 double *grad_rho[3]; in main() local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | xc_vdW_DF.f90 | 372 REAL(DP), ALLOCATABLE :: grad_rho(:,:) ! The gradient of the charge density. The local
541 REAL(DP), ALLOCATABLE :: grad_rho(:,:) ! The gradient of the charge density. The local
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
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
1689 REAL(DP), ALLOCATABLE :: grad_rho(:,:) ! local
1990 SUBROUTINE vdW_DF_stress_gradient (total_rho, grad_rho, q0, & argument
[all …]
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| H A D | exchange_gga.f90 | 660 REAL(DP) :: s, s_2, s_3, s_4, s_5, s_6, fs, grad_rho, df_ds local
997 REAL(DP) :: s, s_2, s_3, s_4, s_5, s_6, fs, grad_rho, df_ds local
1153 REAL(DP) :: s, s_2, s_3, s_4, s_5, s_6, fs, fs_rPW86, df_rPW86_ds, grad_rho, df_ds local
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| /dports/science/libvdwxc/libvdwxc-b1e0dd854310410012d05daf4c6661b49f31b2ab/src/ |
| H A D | vdw_gga.c | 75 double grad_rho = sqrt(*sigma_g); in vdwxc_cx_semilocal_exchange() local
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| /dports/science/madness/madness-ebb3fd7/src/examples/ |
| H A D | gygi_soltion.cc | 156 realfunc grad_rho(const realfunc& dens) const { in grad_rho() function in GygiPot
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| /dports/science/chrono/chrono-7.0.1/src/chrono_fsi/physics/ |
| H A D | ChFsiForceI2SPH.cu | 806 Real3 grad_rho = mR3(0.0); in Shifting() local
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