Searched defs:get_mo_set (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_mo_types.F | 354 SUBROUTINE get_mo_set(mo_set, maxocc, homo, lfomo, nao, nelectron, n_el_f, nmo, & subroutine
358 TYPE(mo_set_type), POINTER :: mo_set
359 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: maxocc
360 INTEGER, INTENT(OUT), OPTIONAL :: homo, lfomo, nao, nelectron
361 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: n_el_f
362 INTEGER, INTENT(OUT), OPTIONAL :: nmo
363 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: eigenvalues, occupation_numbers
387 END SUBROUTINE get_mo_set argument
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_mo_types.F | 398 SUBROUTINE get_mo_set(mo_set, maxocc, homo, lfomo, nao, nelectron, n_el_f, nmo, & subroutine
402 TYPE(mo_set_type), POINTER :: mo_set
403 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: maxocc
404 INTEGER, INTENT(OUT), OPTIONAL :: homo, lfomo, nao, nelectron
405 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: n_el_f
406 INTEGER, INTENT(OUT), OPTIONAL :: nmo
407 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: eigenvalues, occupation_numbers
431 END SUBROUTINE get_mo_set argument
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