| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_libint_interface.F | 463 P = pgf_product_list(i)%P
464 Q = pgf_product_list(i)%Q
465 W = pgf_product_list(i)%W
558 P = pgf_product_list(i)%P
559 Q = pgf_product_list(i)%Q
560 W = pgf_product_list(i)%W
653 P = pgf_product_list(i)%P
654 Q = pgf_product_list(i)%Q
655 W = pgf_product_list(i)%W
748 P = pgf_product_list(i)%P
[all …]
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| H A D | mp2_ri_libint.F | 475 DIMENSION(:) :: pgf_product_list local
505 … pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, &
644 pgf_list_ij, pgf_list_kl, pgf_product_list, &
872 pgf_list_ij, pgf_list_kl, pgf_product_list, &
942 DEALLOCATE (pgf_product_list)
1002 … pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, & argument
1030 DIMENSION(:), INTENT(OUT) :: pgf_product_list local
1143 ALLOCATE (pgf_product_list(nneighbors**3))
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| H A D | hfx_derivatives.F | 200 DIMENSION(:) :: pgf_product_list local
614 ALLOCATE (pgf_product_list(tmp_i4))
1293 pgf_list_ij, pgf_list_kl, pgf_product_list, &
1700 DEALLOCATE (pgf_product_list)
1829 pgf_product_list, & argument
1863 DIMENSION(:), INTENT(INOUT) :: pgf_product_list local
1916 … CALL build_pgf_product_list(pgf_list_ij(list_ij), pgf_list_kl(list_kl), pgf_product_list, &
1944 CALL evaluate_deriv_eri(deriv, nproducts, pgf_product_list, &
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| H A D | hfx_energy_potential.F | 231 DIMENSION(:) :: pgf_product_list local
556 ALLOCATE (pgf_product_list(tmp_i4))
1537 pgf_list_ij, pgf_list_kl, pgf_product_list, &
2153 DEALLOCATE (pgf_product_list)
2261 pgf_product_list, & argument
2291 DIMENSION(:), INTENT(INOUT) :: pgf_product_list local
2330 … CALL build_pgf_product_list(pgf_list_ij(list_ij), pgf_list_kl(list_kl), pgf_product_list, &
2359 CALL evaluate_eri(lib, nproducts, pgf_product_list, &
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| H A D | mp2_direct_method.F | 169 DIMENSION(:) :: pgf_product_list local
199 … pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, &
523 pgf_list_ij, pgf_list_kl, pgf_product_list, &
827 DEALLOCATE (pgf_product_list)
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_libint_interface.F | 463 P = pgf_product_list(i)%P
464 Q = pgf_product_list(i)%Q
465 W = pgf_product_list(i)%W
558 P = pgf_product_list(i)%P
559 Q = pgf_product_list(i)%Q
560 W = pgf_product_list(i)%W
653 P = pgf_product_list(i)%P
654 Q = pgf_product_list(i)%Q
655 W = pgf_product_list(i)%W
748 P = pgf_product_list(i)%P
[all …]
|
| H A D | mp2_ri_libint.F | 475 DIMENSION(:) :: pgf_product_list local
505 … pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, &
644 pgf_list_ij, pgf_list_kl, pgf_product_list, &
872 pgf_list_ij, pgf_list_kl, pgf_product_list, &
942 DEALLOCATE (pgf_product_list)
1002 … pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, & argument
1030 DIMENSION(:), INTENT(OUT) :: pgf_product_list local
1143 ALLOCATE (pgf_product_list(nneighbors**3))
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| H A D | hfx_derivatives.F | 203 DIMENSION(:) :: pgf_product_list local
620 ALLOCATE (pgf_product_list(tmp_i4))
1303 pgf_list_ij, pgf_list_kl, pgf_product_list, &
1714 DEALLOCATE (pgf_product_list)
1843 pgf_product_list, & argument
1877 DIMENSION(:), INTENT(INOUT) :: pgf_product_list local
1930 … CALL build_pgf_product_list(pgf_list_ij(list_ij), pgf_list_kl(list_kl), pgf_product_list, &
1958 CALL evaluate_deriv_eri(deriv, nproducts, pgf_product_list, &
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| H A D | hfx_energy_potential.F | 231 DIMENSION(:) :: pgf_product_list local
556 ALLOCATE (pgf_product_list(tmp_i4))
1537 pgf_list_ij, pgf_list_kl, pgf_product_list, &
2153 DEALLOCATE (pgf_product_list)
2261 pgf_product_list, & argument
2291 DIMENSION(:), INTENT(INOUT) :: pgf_product_list local
2330 … CALL build_pgf_product_list(pgf_list_ij(list_ij), pgf_list_kl(list_kl), pgf_product_list, &
2359 CALL evaluate_eri(lib, nproducts, pgf_product_list, &
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| H A D | mp2_direct_method.F | 169 DIMENSION(:) :: pgf_product_list local
199 … pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, &
523 pgf_list_ij, pgf_list_kl, pgf_product_list, &
827 DEALLOCATE (pgf_product_list)
|