Searched defs:lri_env_basis (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | lri_environment_init.F | 123 SUBROUTINE lri_env_basis(ri_type, qs_env, lri_env, qs_kind_set) subroutine
130 CHARACTER(len=*), PARAMETER :: routineN = 'lri_env_basis', routineP = moduleN//':'//routineN argument
132 INTEGER :: i, i1, i2, iat, ikind, ip, ipgf, iset, ishell, jp, l, lmax_ikind_orb, & local
133 lmax_ikind_ri, maxl_orb, maxl_ri, n1, n2, natom, nbas, nkind, nribas, nspin
134 INTEGER, ALLOCATABLE, DIMENSION(:) :: kind_of
135 REAL(KIND=dp) :: gcc, rad, rai, raj, xradius, zeta
136 REAL(KIND=dp), DIMENSION(:), POINTER :: int_aux, norm
137 TYPE(atomic_kind_type), DIMENSION(:), POINTER :: atomic_kind_set
138 TYPE(dft_control_type), POINTER :: dft_control
139 TYPE(gto_basis_set_type), POINTER :: orb_basis_set, ri_basis_set
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | lri_environment_init.F | 123 SUBROUTINE lri_env_basis(ri_type, qs_env, lri_env, qs_kind_set) subroutine
130 CHARACTER(len=*), PARAMETER :: routineN = 'lri_env_basis', routineP = moduleN//':'//routineN argument
132 INTEGER :: i, i1, i2, iat, ikind, ip, ipgf, iset, ishell, jp, l, lmax_ikind_orb, & local
133 lmax_ikind_ri, maxl_orb, maxl_ri, n1, n2, natom, nbas, nkind, nribas, nspin
134 INTEGER, ALLOCATABLE, DIMENSION(:) :: kind_of
135 REAL(KIND=dp) :: gcc, rad, rai, raj, xradius, zeta
136 REAL(KIND=dp), DIMENSION(:), POINTER :: int_aux, norm
137 TYPE(atomic_kind_type), DIMENSION(:), POINTER :: atomic_kind_set
138 TYPE(dft_control_type), POINTER :: dft_control
139 TYPE(gto_basis_set_type), POINTER :: orb_basis_set, ri_basis_set
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