Searched defs:fist_dipole (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | fist_efield_methods.F | 195 TYPE(cell_type), POINTER :: cell
196 INTEGER, INTENT(IN) :: unit_nr
197 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges
199 CHARACTER(LEN=default_string_length) :: description, dipole_type
200 COMPLEX(KIND=dp) :: dzeta, dzphase(3), zeta, zphase(3)
201 COMPLEX(KIND=dp), DIMENSION(3) :: dggamma, ggamma
202 INTEGER :: i, iparticle_kind, j, reference
204 LOGICAL :: do_berry, use_charges
205 REAL(KIND=dp) :: charge_tot, ci(3), dci(3), dipole(3), dipole_deriv(3), drcc(3), dria(3), &
206 dtheta, gvec(3), q, rcc(3), ria(3), theta, tmp(3), via(3)
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | fist_efield_methods.F | 195 TYPE(cell_type), POINTER :: cell
196 INTEGER, INTENT(IN) :: unit_nr
197 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges
199 CHARACTER(LEN=default_string_length) :: description, dipole_type
200 COMPLEX(KIND=dp) :: dzeta, dzphase(3), zeta, zphase(3)
201 COMPLEX(KIND=dp), DIMENSION(3) :: dggamma, ggamma
202 INTEGER :: i, iparticle_kind, j, reference
204 LOGICAL :: do_berry, use_charges
205 REAL(KIND=dp) :: charge_tot, ci(3), dci(3), dipole(3), dipole_deriv(3), drcc(3), dria(3), &
206 dtheta, gvec(3), q, rcc(3), ria(3), theta, tmp(3), via(3)
[all …]
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