Searched defs:loc_dipole (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_loc_dipole.F | 67 CHARACTER(len=*), PARAMETER :: routineN = 'loc_dipole', routineP = moduleN//':'//routineN argument
69 CHARACTER(LEN=default_string_length) :: description, descriptionThisDip, iter
70 COMPLEX(KIND=dp) :: zeta
71 COMPLEX(KIND=dp), DIMENSION(3) :: ggamma, zphase
72 INTEGER :: handle, i, ikind, ispins, j, n_rep, &
73 reference, unit_nr
74 LOGICAL :: do_berry, first_time, floating, ghost
75 REAL(KIND=dp) :: charge_tot, theta, zeff, zwfc
76 REAL(KIND=dp), DIMENSION(3) :: ci, dipole, dipole_old, gvec, rcc, ria
78 TYPE(cell_type), POINTER :: cell
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_loc_dipole.F | 67 CHARACTER(len=*), PARAMETER :: routineN = 'loc_dipole', routineP = moduleN//':'//routineN argument
69 CHARACTER(LEN=default_string_length) :: description, descriptionThisDip, iter
70 COMPLEX(KIND=dp) :: zeta
71 COMPLEX(KIND=dp), DIMENSION(3) :: ggamma, zphase
72 INTEGER :: handle, i, ikind, ispins, j, n_rep, &
73 reference, unit_nr
74 LOGICAL :: do_berry, first_time, floating, ghost
75 REAL(KIND=dp) :: charge_tot, theta, zeff, zwfc
76 REAL(KIND=dp), DIMENSION(3) :: ci, dipole, dipole_old, gvec, rcc, ria
78 TYPE(cell_type), POINTER :: cell
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