Searched defs:linpot_rotinv_calc_terms (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_linpot_rotinv.F | 123 CHARACTER(len=*), PARAMETER :: routineN = 'linpot_rotinv_calc_terms' argument
125 INTEGER :: handle, i, ic, ikind, ipot, iset, ishell, ishell_abs, jatom, jkind, jset, jshell, &
126 jshell_abs, kterm, la1_max, la1_min, la2_max, la2_min, lb_max, lb_min, lpot, N, na1, na2, &
127 natoms, nb, ncfga1, ncfga2, ncfgb, npgfa1, npgfa2, npgfb, npots, pot_maxl, sgfa1, sgfa2, &
128 sgla1, sgla2
129 REAL(dp) :: coeff, norm2, pot_beta, pot_weight, &
130 rpgfa_max, tab
131 REAL(dp), DIMENSION(3) :: Ra, Rab, Rb
132 … REAL(dp), DIMENSION(:), POINTER :: rpgfa1, rpgfa2, rpgfb, zeta1, zeta2, zetb
133 REAL(dp), DIMENSION(:, :), POINTER :: T1, T2, V12, V21
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_linpot_rotinv.F | 123 CHARACTER(len=*), PARAMETER :: routineN = 'linpot_rotinv_calc_terms' argument
125 INTEGER :: handle, i, ic, ikind, ipot, iset, ishell, ishell_abs, jatom, jkind, jset, jshell, &
126 jshell_abs, kterm, la1_max, la1_min, la2_max, la2_min, lb_max, lb_min, lpot, N, na1, na2, &
127 natoms, nb, ncfga1, ncfga2, ncfgb, npgfa1, npgfa2, npgfb, npots, pot_maxl, sgfa1, sgfa2, &
128 sgla1, sgla2
129 REAL(dp) :: coeff, norm2, pot_beta, pot_weight, &
130 rpgfa_max, tab
131 REAL(dp), DIMENSION(3) :: Ra, Rab, Rb
132 … REAL(dp), DIMENSION(:), POINTER :: rpgfa1, rpgfa2, rpgfb, zeta1, zeta2, zetb
133 REAL(dp), DIMENSION(:, :), POINTER :: T1, T2, V12, V21
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