Searched defs:calculate_Vh_1center (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hartree_local_methods.F | 104 SUBROUTINE calculate_Vh_1center(vrad_h, vrad_s, rrad_h, rrad_s, rrad_0, rrad_z, grid_atom) subroutine
112 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_Vh_1center', & argument
113 routineP = moduleN//':'//routineN
115 INTEGER :: handle, ir, iso, ispin, l_ang, &
116 max_s_harm, nchannels, nr, nspins
117 … REAL(dp) :: I1_down, I1_up, I2_down, I2_up, prefactor
118 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: rho_1, rho_2
119 REAL(dp), DIMENSION(:), POINTER :: wr
120 REAL(dp), DIMENSION(:, :), POINTER :: oor2l, r2l
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hartree_local_methods.F | 104 SUBROUTINE calculate_Vh_1center(vrad_h, vrad_s, rrad_h, rrad_s, rrad_0, rrad_z, grid_atom) subroutine
112 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_Vh_1center', & argument
113 routineP = moduleN//':'//routineN
115 INTEGER :: handle, ir, iso, ispin, l_ang, &
116 max_s_harm, nchannels, nr, nspins
117 … REAL(dp) :: I1_down, I1_up, I2_down, I2_up, prefactor
118 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: rho_1, rho_2
119 REAL(dp), DIMENSION(:), POINTER :: wr
120 REAL(dp), DIMENSION(:, :), POINTER :: oor2l, r2l
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