Searched defs:calc_dipsurf_potential (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | surface_dipole.F | 58 SUBROUTINE calc_dipsurf_potential(qs_env, energy) subroutine
63 CHARACTER(len=*), PARAMETER :: routineN = 'calc_dipsurf_potential', & argument
64 routineP = moduleN//':'//routineN
66 INTEGER :: handle, i, idir_surfdip, ilayer_min, &
67 ilow, irho, ispin, isurf, iup, jsurf, &
70 INTEGER, DIMENSION(:, :), POINTER :: bo
71 REAL(dp) :: cutoff, dh(3, 3), dip_fac, dip_hh, &
72 dsurf, height_min, hh, pos_surf_dip, &
73 rhoav_min, surfarea, vdip, vdip_fac
78 TYPE(pw_p_type) :: vdip_r, wf_r
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | surface_dipole.F | 56 SUBROUTINE calc_dipsurf_potential(qs_env, energy) subroutine
61 CHARACTER(len=*), PARAMETER :: routineN = 'calc_dipsurf_potential', & argument
62 routineP = moduleN//':'//routineN
64 INTEGER :: handle, i, idir_surfdip, ilayer_min, &
65 ilow, irho, ispin, isurf, iup, jsurf
67 INTEGER, DIMENSION(:, :), POINTER :: bo
68 REAL(dp) :: dh(3, 3), dip_fac, dip_hh, dsurf, &
69 height_min, hh, rhoav_min, surfarea, &
70 vdip, vdip_fac
75 TYPE(pw_p_type) :: vdip_r, wf_r
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