Searched defs:almo_dm_to_almo_ks (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | almo_scf_qs.F | 751 SUBROUTINE almo_dm_to_almo_ks(qs_env, matrix_p, matrix_ks, energy_total, eps_filter, & subroutine
761 CHARACTER(len=*), PARAMETER :: routineN = 'almo_dm_to_almo_ks', & argument
762 routineP = moduleN//':'//routineN
764 INTEGER :: handle, ispin, nspins
765 LOGICAL :: smearing
766 REAL(KIND=dp) :: entropic_term
767 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_qs_ks
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | almo_scf_qs.F | 751 SUBROUTINE almo_dm_to_almo_ks(qs_env, matrix_p, matrix_ks, energy_total, eps_filter, & subroutine
761 CHARACTER(len=*), PARAMETER :: routineN = 'almo_dm_to_almo_ks', & argument
762 routineP = moduleN//':'//routineN
764 INTEGER :: handle, ispin, nspins
765 LOGICAL :: smearing
766 REAL(KIND=dp) :: entropic_term
767 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_qs_ks
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