Searched refs:mo_coeff_deriv (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_mo_methods.F | 933 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)
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H A D | qs_scf_post_tb.F | 194 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)
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H A D | qs_scf_post_gpw.F | 1607 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_mo_methods.F | 933 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)
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H A D | qs_scf_post_tb.F | 188 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)
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H A D | qs_scf_post_gpw.F | 1563 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)
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