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 D | almo_scf_types.F | 99 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)
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H A D | almo_scf_env_methods.F | 77 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))
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H A D | almo_scf.F | 661 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), &
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H A D | almo_scf_methods.F | 3361 xalmo_history%matrix_p_up_down(ispin, istore), &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | almo_scf_types.F | 96 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)
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H A D | almo_scf_env_methods.F | 76 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))
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H A D | almo_scf.F | 672 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), &
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H A D | almo_scf_methods.F | 3417 xalmo_history%matrix_p_up_down(ispin, istore), &
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