Searched defs:evaluate_eri_screen (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_libint_interface.F | 1294 SUBROUTINE evaluate_eri_screen(libint, A, B, C, D, Zeta_A, Zeta_B, Zeta_C, Zeta_D, & subroutine
1299 TYPE(cp_libint_t) :: libint
1300 … REAL(dp), INTENT(IN) :: A(3), B(3), C(3), D(3), Zeta_A, Zeta_B, &
1301 Zeta_C, Zeta_D
1302 INTEGER, INTENT(IN) :: n_a, n_b, n_c, n_d
1303 REAL(dp), INTENT(INOUT) :: max_val
1304 TYPE(hfx_potential_type) :: potential_parameter
1305 REAL(dp) :: R1, R2
1306 REAL(dp), DIMENSION(:), POINTER :: p_work
1308 INTEGER :: a_mysize(1), i, m_max, mysize, perm_case
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_libint_interface.F | 1294 SUBROUTINE evaluate_eri_screen(libint, A, B, C, D, Zeta_A, Zeta_B, Zeta_C, Zeta_D, & subroutine
1299 TYPE(cp_libint_t) :: libint
1300 … REAL(dp), INTENT(IN) :: A(3), B(3), C(3), D(3), Zeta_A, Zeta_B, &
1301 Zeta_C, Zeta_D
1302 INTEGER, INTENT(IN) :: n_a, n_b, n_c, n_d
1303 REAL(dp), INTENT(INOUT) :: max_val
1304 TYPE(hfx_potential_type) :: potential_parameter
1305 REAL(dp) :: R1, R2
1306 REAL(dp), DIMENSION(:), POINTER :: p_work
1308 INTEGER :: a_mysize(1), i, m_max, mysize, perm_case
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