Searched defs:calculate_mpole_gau (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_rho0_methods.F | 82 SUBROUTINE calculate_mpole_gau(mp_gau, orb_basis, harmonics, nchannels, nsotot) subroutine
89 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_mpole_gau', & argument
90 routineP = moduleN//':'//routineN
92 INTEGER :: handle, icg, ig1, ig2, ipgf1, ipgf2, iset1, iset2, iso, iso1, iso2, l, l1, l2, &
93 llmax, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, nset
94 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list
95 INTEGER, ALLOCATABLE, DIMENSION(:, :, :) :: cg_list
96 INTEGER, DIMENSION(:), POINTER :: lmax, lmin, npgf
97 REAL(dp) :: zet1, zet2
98 REAL(dp), DIMENSION(:, :), POINTER :: zet
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_rho0_methods.F | 84 SUBROUTINE calculate_mpole_gau(mp_gau, orb_basis, harmonics, nchannels, nsotot) subroutine
91 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_mpole_gau', & argument
92 routineP = moduleN//':'//routineN
94 INTEGER :: handle, icg, ig1, ig2, ipgf1, ipgf2, iset1, iset2, iso, iso1, iso2, l, l1, l2, &
95 llmax, m1, m2, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, nset
96 INTEGER, ALLOCATABLE, DIMENSION(:) :: cg_n_list
97 INTEGER, ALLOCATABLE, DIMENSION(:, :, :) :: cg_list
98 INTEGER, DIMENSION(:), POINTER :: lmax, lmin, npgf
99 REAL(dp) :: zet1, zet2
100 REAL(dp), DIMENSION(:, :), POINTER :: zet
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