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Searched refs:matrix_p_up_down (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dalmo_scf_types.F99 TYPE(dbcsr_type), DIMENSION(:, :), ALLOCATABLE :: matrix_p_up_down component
524 CALL dbcsr_release(almo_scf_env%almo_history%matrix_p_up_down(ispin, istore))
529 DEALLOCATE (almo_scf_env%almo_history%matrix_p_up_down)
534 CALL dbcsr_release(almo_scf_env%xalmo_history%matrix_p_up_down(ispin, istore))
540 DEALLOCATE (almo_scf_env%xalmo_history%matrix_p_up_down)
H A Dalmo_scf_env_methods.F77 ALLOCATE (almo_scf_env%almo_history%matrix_p_up_down(almo_scf_env%nspins, nallocate))
82 ALLOCATE (almo_scf_env%xalmo_history%matrix_p_up_down(almo_scf_env%nspins, nallocate))
H A Dalmo_scf.F661 almo_scf_env%almo_history%matrix_p_up_down(ispin, istore), &
799 CALL dbcsr_create(almo_scf_env%almo_history%matrix_p_up_down(ispin, istore), &
821 0.0_dp, almo_scf_env%almo_history%matrix_p_up_down(ispin, istore), &
857 CALL dbcsr_create(almo_scf_env%xalmo_history%matrix_p_up_down(ispin, istore), &
879 … 0.0_dp, almo_scf_env%xalmo_history%matrix_p_up_down(ispin, istore), &
H A Dalmo_scf_methods.F3361 xalmo_history%matrix_p_up_down(ispin, istore), &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dalmo_scf_types.F96 TYPE(dbcsr_type), DIMENSION(:, :), ALLOCATABLE :: matrix_p_up_down component
557 CALL dbcsr_release(almo_scf_env%almo_history%matrix_p_up_down(ispin, istore))
562 DEALLOCATE (almo_scf_env%almo_history%matrix_p_up_down)
567 CALL dbcsr_release(almo_scf_env%xalmo_history%matrix_p_up_down(ispin, istore))
573 DEALLOCATE (almo_scf_env%xalmo_history%matrix_p_up_down)
H A Dalmo_scf_env_methods.F76 ALLOCATE (almo_scf_env%almo_history%matrix_p_up_down(almo_scf_env%nspins, nallocate))
81 ALLOCATE (almo_scf_env%xalmo_history%matrix_p_up_down(almo_scf_env%nspins, nallocate))
H A Dalmo_scf.F672 almo_scf_env%almo_history%matrix_p_up_down(ispin, istore), &
810 CALL dbcsr_create(almo_scf_env%almo_history%matrix_p_up_down(ispin, istore), &
832 0.0_dp, almo_scf_env%almo_history%matrix_p_up_down(ispin, istore), &
868 CALL dbcsr_create(almo_scf_env%xalmo_history%matrix_p_up_down(ispin, istore), &
890 … 0.0_dp, almo_scf_env%xalmo_history%matrix_p_up_down(ispin, istore), &
H A Dalmo_scf_methods.F3417 xalmo_history%matrix_p_up_down(ispin, istore), &