Searched defs:make_mo_eig (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_mo_methods.F | 919 SUBROUTINE make_mo_eig(mos, nspins, ks_rmpv, scf_control, mo_derivs, admm_env) subroutine
928 CHARACTER(len=*), PARAMETER :: routineN = 'make_mo_eig', routineP = moduleN//':'//routineN argument
930 INTEGER :: handle, homo, ispin, nmo, output_unit
931 REAL(KIND=dp), DIMENSION(:), POINTER :: mo_eigenvalues
932 TYPE(cp_fm_type), POINTER :: mo_coeff
933 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_mo_methods.F | 919 SUBROUTINE make_mo_eig(mos, nspins, ks_rmpv, scf_control, mo_derivs, admm_env) subroutine
928 CHARACTER(len=*), PARAMETER :: routineN = 'make_mo_eig', routineP = moduleN//':'//routineN argument
930 INTEGER :: handle, homo, ispin, nmo, output_unit
931 REAL(KIND=dp), DIMENSION(:), POINTER :: mo_eigenvalues
932 TYPE(cp_fm_type), POINTER :: mo_coeff
933 TYPE(dbcsr_type), POINTER :: mo_coeff_deriv
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