Searched defs:init_interaction_radii_orb_basis (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_interactions.F | 371 SUBROUTINE init_interaction_radii_orb_basis(orb_basis_set, eps_pgf_orb, eps_pgf_short) subroutine
377 CHARACTER(len=*), PARAMETER :: routineN = 'init_interaction_radii_orb_basis', & argument
378 routineP = moduleN//':'//routineN
380 INTEGER :: ipgf, iset, ishell, l, nset local
381 INTEGER, DIMENSION(:), POINTER :: npgf, nshell
382 INTEGER, DIMENSION(:, :), POINTER :: lshell
383 REAL(KIND=dp) :: eps_short, gcca, kind_radius, &
384 short_radius, zeta
385 REAL(KIND=dp), DIMENSION(:), POINTER :: set_radius
386 REAL(KIND=dp), DIMENSION(:, :), POINTER :: pgf_radius, zet
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_interactions.F | 372 SUBROUTINE init_interaction_radii_orb_basis(orb_basis_set, eps_pgf_orb, eps_pgf_short) subroutine
378 CHARACTER(len=*), PARAMETER :: routineN = 'init_interaction_radii_orb_basis', & argument
379 routineP = moduleN//':'//routineN
381 INTEGER :: ipgf, iset, ishell, l, nset local
382 INTEGER, DIMENSION(:), POINTER :: npgf, nshell
383 INTEGER, DIMENSION(:, :), POINTER :: lshell
384 REAL(KIND=dp) :: eps_short, gcca, kind_radius, &
385 short_radius, zeta
386 REAL(KIND=dp), DIMENSION(:), POINTER :: set_radius
387 REAL(KIND=dp), DIMENSION(:, :), POINTER :: pgf_radius, zet
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