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Searched refs:ostrength_sm (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_env_types.F105 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ostrength_sm component
155 … mykind_of_kind, state_of_atom, spectrum, groundstate_coeff, ostrength_sm, & argument
174 POINTER :: ostrength_sm local
224 IF (PRESENT(ostrength_sm)) ostrength_sm => xas_env%ostrength_sm
330 NULLIFY (xas_env%ostrength_sm, xas_env%qs_loc_env, xas_env%spectrum)
402 IF (ASSOCIATED(xas_env%ostrength_sm)) THEN
403 CALL dbcsr_deallocate_matrix_set(xas_env%ostrength_sm)
H A Dxas_methods.F407 CALL get_xas_env(xas_env=xas_env, ostrength_sm=ostrength_sm)
410 op_sm(i)%matrix => ostrength_sm(i)%matrix
844 ALLOCATE (xas_env%ostrength_sm(i)%matrix)
866 ALLOCATE (xas_env%ostrength_sm(1)%matrix)
875 ALLOCATE (xas_env%ostrength_sm(i)%matrix)
876 CALL dbcsr_copy(xas_env%ostrength_sm(i)%matrix, xas_env%ostrength_sm(1)%matrix, &
1058 NULLIFY (ostrength_sm, op_sm, dip_fm_set)
1068 ostrength_sm=ostrength_sm, nvirtual=nvirtual, spin_channel=my_spin)
1082 op_sm(i)%matrix => ostrength_sm(i)%matrix
1088 DO i = 1, SIZE(ostrength_sm, 1)
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_env_types.F105 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: ostrength_sm component
155 … mykind_of_kind, state_of_atom, spectrum, groundstate_coeff, ostrength_sm, & argument
174 POINTER :: ostrength_sm local
224 IF (PRESENT(ostrength_sm)) ostrength_sm => xas_env%ostrength_sm
330 NULLIFY (xas_env%ostrength_sm, xas_env%qs_loc_env, xas_env%spectrum)
402 IF (ASSOCIATED(xas_env%ostrength_sm)) THEN
403 CALL dbcsr_deallocate_matrix_set(xas_env%ostrength_sm)
H A Dxas_methods.F407 CALL get_xas_env(xas_env=xas_env, ostrength_sm=ostrength_sm)
410 op_sm(i)%matrix => ostrength_sm(i)%matrix
844 ALLOCATE (xas_env%ostrength_sm(i)%matrix)
866 ALLOCATE (xas_env%ostrength_sm(1)%matrix)
875 ALLOCATE (xas_env%ostrength_sm(i)%matrix)
876 CALL dbcsr_copy(xas_env%ostrength_sm(i)%matrix, xas_env%ostrength_sm(1)%matrix, &
1058 NULLIFY (ostrength_sm, op_sm, dip_fm_set)
1068 ostrength_sm=ostrength_sm, nvirtual=nvirtual, spin_channel=my_spin)
1082 op_sm(i)%matrix => ostrength_sm(i)%matrix
1088 DO i = 1, SIZE(ostrength_sm, 1)
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