/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_ri_libint.F | 465 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 557 sphi_b_ext => basis_S0(jkind)%sphi_ext(:, :, :, :) 559 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 560 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 561 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 601 sphi_b_ext_set => sphi_b_ext(:, :, :, jset) 770 sphi_b_ext => basis_S0(jkind)%sphi_ext(:, :, :, :) 772 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 773 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 774 sphi_b_u3 = UBOUND(sphi_b_ext, 3) [all …]
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H A D | hfx_derivatives.F | 181 REAL(dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 979 sphi_b_ext => basis_parameter(jkind)%sphi_ext(:, :, :, :) 981 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 982 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 983 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 1209 sphi_b_ext_set => sphi_b_ext(:, :, :, jset) 1846 sphi_a_ext, sphi_b_ext, sphi_c_ext, sphi_d_ext, & argument 1880 sphi_b_ext(sphi_b_u1, sphi_b_u2, sphi_b_u3), sphi_c_ext(sphi_c_u1, sphi_c_u2, sphi_c_u3), & local 1968 sphi_b_ext(1, lb + 1, jpgf), &
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H A D | mp2_direct_method.F | 159 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 394 sphi_b_ext => basis_parameter(jkind)%sphi_ext(:, :, :, :) 396 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 397 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 398 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 408 sphi_b_ext_set => sphi_b_ext(:, :, :, jset)
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H A D | hfx_energy_potential.F | 208 REAL(dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 1207 sphi_b_ext => basis_parameter(jkind)%sphi_ext(:, :, :, :) 1209 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 1210 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 1211 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 1430 sphi_b_ext_set => sphi_b_ext(:, :, :, jset) 2264 sphi_a_ext, sphi_b_ext, sphi_c_ext, sphi_d_ext, & argument 2294 sphi_b_ext(sphi_b_u1, sphi_b_u2, sphi_b_u3), sphi_c_ext(sphi_c_u1, sphi_c_u2, sphi_c_u3), & local 2369 sphi_b_ext(1, lb + 1, jpgf), &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_ri_libint.F | 465 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 557 sphi_b_ext => basis_S0(jkind)%sphi_ext(:, :, :, :) 559 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 560 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 561 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 601 sphi_b_ext_set => sphi_b_ext(:, :, :, jset) 770 sphi_b_ext => basis_S0(jkind)%sphi_ext(:, :, :, :) 772 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 773 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 774 sphi_b_u3 = UBOUND(sphi_b_ext, 3) [all …]
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H A D | hfx_derivatives.F | 177 REAL(dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 973 sphi_b_ext => basis_parameter(jkind)%sphi_ext(:, :, :, :) 975 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 976 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 977 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 1201 sphi_b_ext_set => sphi_b_ext(:, :, :, jset) 1832 sphi_a_ext, sphi_b_ext, sphi_c_ext, sphi_d_ext, & argument 1866 sphi_b_ext(sphi_b_u1, sphi_b_u2, sphi_b_u3), sphi_c_ext(sphi_c_u1, sphi_c_u2, sphi_c_u3), & local 1954 sphi_b_ext(1, lb + 1, jpgf), &
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H A D | mp2_direct_method.F | 159 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 394 sphi_b_ext => basis_parameter(jkind)%sphi_ext(:, :, :, :) 396 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 397 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 398 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 408 sphi_b_ext_set => sphi_b_ext(:, :, :, jset)
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H A D | hfx_energy_potential.F | 208 REAL(dp), DIMENSION(:, :, :, :), POINTER :: sphi_a_ext, sphi_b_ext, sphi_c_ext, & local 1207 sphi_b_ext => basis_parameter(jkind)%sphi_ext(:, :, :, :) 1209 sphi_b_u1 = UBOUND(sphi_b_ext, 1) 1210 sphi_b_u2 = UBOUND(sphi_b_ext, 2) 1211 sphi_b_u3 = UBOUND(sphi_b_ext, 3) 1430 sphi_b_ext_set => sphi_b_ext(:, :, :, jset) 2264 sphi_a_ext, sphi_b_ext, sphi_c_ext, sphi_d_ext, & argument 2294 sphi_b_ext(sphi_b_u1, sphi_b_u2, sphi_b_u3), sphi_c_ext(sphi_c_u1, sphi_c_u2, sphi_c_u3), & local 2369 sphi_b_ext(1, lb + 1, jpgf), &
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