/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 577 sphi_c_ext => RI_basis_parameter(kkind)%sphi_ext(:, :, :, :) 579 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 580 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 581 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 613 sphi_c_ext_set => sphi_c_ext(:, :, :, kset) 811 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 813 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 814 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 815 sphi_c_u3 = UBOUND(sphi_c_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 1057 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 1059 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 1060 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 1061 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 1221 sphi_c_ext_set => sphi_c_ext(:, :, :, kset) 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 1969 sphi_c_ext(1, lc + 1, kpgf), &
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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 452 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 454 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 455 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 456 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 481 sphi_c_ext_set => sphi_c_ext(:, :, :, kset)
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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 1263 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 1265 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 1266 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 1267 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 1441 sphi_c_ext_set => sphi_c_ext(:, :, :, kset) 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 2370 sphi_c_ext(1, lc + 1, kpgf), &
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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 577 sphi_c_ext => RI_basis_parameter(kkind)%sphi_ext(:, :, :, :) 579 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 580 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 581 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 613 sphi_c_ext_set => sphi_c_ext(:, :, :, kset) 811 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 813 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 814 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 815 sphi_c_u3 = UBOUND(sphi_c_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 1049 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 1051 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 1052 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 1053 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 1213 sphi_c_ext_set => sphi_c_ext(:, :, :, kset) 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 1955 sphi_c_ext(1, lc + 1, kpgf), &
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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 452 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 454 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 455 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 456 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 481 sphi_c_ext_set => sphi_c_ext(:, :, :, kset)
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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 1263 sphi_c_ext => basis_parameter(kkind)%sphi_ext(:, :, :, :) 1265 sphi_c_u1 = UBOUND(sphi_c_ext, 1) 1266 sphi_c_u2 = UBOUND(sphi_c_ext, 2) 1267 sphi_c_u3 = UBOUND(sphi_c_ext, 3) 1441 sphi_c_ext_set => sphi_c_ext(:, :, :, kset) 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 2370 sphi_c_ext(1, lc + 1, kpgf), &
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