Searched refs:mo_derivs_local (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_utils.F | 408 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: mo_derivs_local local
576 ALLOCATE (mo_derivs_local(SIZE(mo_array, 1)))
579 CALL cp_fm_create(mo_derivs_local(I)%matrix, mo_coeff%matrix_struct)
652 CALL cp_fm_set_all(mo_derivs_local(sic_orbital_list(3, iorb))%matrix, 0.0_dp)
653 …CALL cp_fm_to_fm(matrix_hv, mo_derivs_local(sic_orbital_list(3, iorb))%matrix, 1, 1, sic_orbital_l…
654 CALL copy_fm_to_dbcsr(mo_derivs_local(sic_orbital_list(3, iorb))%matrix, &
679 DO I = 1, SIZE(mo_derivs_local, 1)
680 CALL cp_fm_release(mo_derivs_local(I)%matrix)
682 DEALLOCATE (mo_derivs_local)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_utils.F | 410 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: mo_derivs_local local
578 ALLOCATE (mo_derivs_local(SIZE(mo_array, 1)))
581 CALL cp_fm_create(mo_derivs_local(I)%matrix, mo_coeff%matrix_struct)
654 CALL cp_fm_set_all(mo_derivs_local(sic_orbital_list(3, iorb))%matrix, 0.0_dp)
655 …CALL cp_fm_to_fm(matrix_hv, mo_derivs_local(sic_orbital_list(3, iorb))%matrix, 1, 1, sic_orbital_l…
656 CALL copy_fm_to_dbcsr(mo_derivs_local(sic_orbital_list(3, iorb))%matrix, &
681 DO I = 1, SIZE(mo_derivs_local, 1)
682 CALL cp_fm_release(mo_derivs_local(I)%matrix)
684 DEALLOCATE (mo_derivs_local)
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