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Searched refs:mo_coeff_deriv (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_mo_methods.F933 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv local
937 NULLIFY (mo_coeff_deriv, mo_coeff, mo_eigenvalues)
953 mo_coeff_deriv => mo_derivs(ispin)%matrix
955 mo_coeff_deriv => NULL()
965 co_rotate_dbcsr=mo_coeff_deriv)
H A Dqs_scf_post_tb.F194 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv local
412 mo_coeff_deriv => qs_env%mo_derivs(ispin)%matrix
414 mo_coeff_deriv => NULL()
418 co_rotate_dbcsr=mo_coeff_deriv)
H A Dqs_scf_post_gpw.F1607 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv local
1629 mo_coeff_deriv, mo_eigenvalues, mos, atomic_kind_set, qs_kind_set, &
1726 mo_coeff_deriv => qs_env%mo_derivs(ispin)%matrix
1728 mo_coeff_deriv => NULL()
1733 co_rotate_dbcsr=mo_coeff_deriv)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_mo_methods.F933 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv local
937 NULLIFY (mo_coeff_deriv, mo_coeff, mo_eigenvalues)
953 mo_coeff_deriv => mo_derivs(ispin)%matrix
955 mo_coeff_deriv => NULL()
965 co_rotate_dbcsr=mo_coeff_deriv)
H A Dqs_scf_post_tb.F188 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv local
392 mo_coeff_deriv => qs_env%mo_derivs(ispin)%matrix
394 mo_coeff_deriv => NULL()
398 co_rotate_dbcsr=mo_coeff_deriv)
H A Dqs_scf_post_gpw.F1563 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv local
1585 mo_coeff_deriv, mo_eigenvalues, mos, atomic_kind_set, qs_kind_set, &
1670 mo_coeff_deriv => qs_env%mo_derivs(ispin)%matrix
1672 mo_coeff_deriv => NULL()
1677 co_rotate_dbcsr=mo_coeff_deriv)