Searched defs:mao_basis_analysis (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mao_methods.F | 622 CHARACTER(len=*), PARAMETER :: routineN = 'mao_basis_analysis', & argument
623 routineP = moduleN//':'//routineN
625 CHARACTER(len=2) :: element_symbol
626 INTEGER :: ia, iab, iatom, ikind, iset, ishell, &
627 ispin, l, lmax, lshell, m, ma, na, &
628 natom, nspin
629 LOGICAL :: found
630 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: cmask, vec1, vec2
631 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: weight
632 REAL(KIND=dp), DIMENSION(:, :), POINTER :: block, cmao
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mao_methods.F | 622 CHARACTER(len=*), PARAMETER :: routineN = 'mao_basis_analysis', & argument
623 routineP = moduleN//':'//routineN
625 CHARACTER(len=2) :: element_symbol
626 INTEGER :: ia, iab, iatom, ikind, iset, ishell, &
627 ispin, l, lmax, lshell, m, ma, na, &
628 natom, nspin
629 LOGICAL :: found
630 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: cmask, vec1, vec2
631 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: weight
632 REAL(KIND=dp), DIMENSION(:, :), POINTER :: block, cmao
[all …]
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