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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_derivatives.F1840 REAL(dp), INTENT(IN) :: ra(3), rb(3), rc(3), rd(3)
1841 INTEGER, INTENT(IN) :: npgfa, npgfb, npgfc, npgfd, la_min, la_max, lb_min, lb_max, lc_min, &
1842 lc_max, ld_min, ld_max, nsgfa, nsgfb, nsgfc, nsgfd, sphi_a_u1, sphi_a_u2, sphi_a_u3, &
1843 sphi_b_u1, sphi_b_u2, sphi_b_u3, sphi_c_u1, sphi_c_u2, sphi_c_u3, sphi_d_u1, sphi_d_u2, &
1860 POINTER :: R1_pgf, R2_pgf, pgf1, pgf2
1864 INTEGER, DIMENSION(0:), INTENT(IN) :: nsgfl_a, nsgfl_b, nsgfl_c, nsgfl_d
1879 INTEGER :: ipgf, jpgf, kpgf, la, lb, lc, ld, list_ij, list_kl, lpgf, max_l, ncoa, ncob, &
1880 ncoc, ncod, nelements_ij, nelements_kl, nproducts, nsgfla, nsgflb, nsgflc, nsgfld, nsoa, &
1881 nsob, nsoc, nsod, s_offset_a, s_offset_b, s_offset_c, s_offset_d
1882 … REAL(dp) :: EtaInv, tmp_max, tmp_max_virial, Zeta_A, &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_derivatives.F1854 REAL(dp), INTENT(IN) :: ra(3), rb(3), rc(3), rd(3)
1855 INTEGER, INTENT(IN) :: npgfa, npgfb, npgfc, npgfd, la_min, la_max, lb_min, lb_max, lc_min, &
1856 lc_max, ld_min, ld_max, nsgfa, nsgfb, nsgfc, nsgfd, sphi_a_u1, sphi_a_u2, sphi_a_u3, &
1857 sphi_b_u1, sphi_b_u2, sphi_b_u3, sphi_c_u1, sphi_c_u2, sphi_c_u3, sphi_d_u1, sphi_d_u2, &
1874 POINTER :: R1_pgf, R2_pgf, pgf1, pgf2
1878 INTEGER, DIMENSION(0:), INTENT(IN) :: nsgfl_a, nsgfl_b, nsgfl_c, nsgfl_d
1893 INTEGER :: ipgf, jpgf, kpgf, la, lb, lc, ld, list_ij, list_kl, lpgf, max_l, ncoa, ncob, &
1894 ncoc, ncod, nelements_ij, nelements_kl, nproducts, nsgfla, nsgflb, nsgflc, nsgfld, nsoa, &
1895 nsob, nsoc, nsod, s_offset_a, s_offset_b, s_offset_c, s_offset_d
1896 … REAL(dp) :: EtaInv, tmp_max, tmp_max_virial, Zeta_A, &
[all …]