Searched defs:evaluate_deriv_eri (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_libint_interface.F | 393 INTEGER, INTENT(IN) :: n_a, n_b, n_c, n_d, ncoa, ncob, ncoc, &
394 ncod, nsgfa, nsgfb, nsgfc, nsgfd
399 … REAL(dp), INTENT(IN) :: Zeta_A, Zeta_B, Zeta_C, Zeta_D, ZetaInv, &
401 INTEGER :: s_offset_a, s_offset_b, s_offset_c, &
402 s_offset_d, nl_a, nl_b, nl_c, nl_d, &
403 nsoa, nsob, nsoc, nsod
423 INTEGER :: a_mysize(1), i, j, k, l, m, m_max, &
424 mysize, n, p1, p2, p3, p4, perm_case
425 REAL(dp) :: A(3), AB(3), B(3), C(3), CD(3), D(3), &
426 P(3), Q(3), Rho, RhoInv, scoord(12), &
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_libint_interface.F | 393 INTEGER, INTENT(IN) :: n_a, n_b, n_c, n_d, ncoa, ncob, ncoc, &
394 ncod, nsgfa, nsgfb, nsgfc, nsgfd
399 … REAL(dp), INTENT(IN) :: Zeta_A, Zeta_B, Zeta_C, Zeta_D, ZetaInv, &
401 INTEGER :: s_offset_a, s_offset_b, s_offset_c, &
402 s_offset_d, nl_a, nl_b, nl_c, nl_d, &
403 nsoa, nsob, nsoc, nsod
423 INTEGER :: a_mysize(1), i, j, k, l, m, m_max, &
424 mysize, n, p1, p2, p3, p4, perm_case
425 REAL(dp) :: A(3), AB(3), B(3), C(3), CD(3), D(3), &
426 P(3), Q(3), Rho, RhoInv, scoord(12), &
[all …]
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