/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/hfx_tools/contraction/templates/ |
H A D | part1 | 4 nl_a, nl_b, nl_c, nl_d,& 12 INTEGER :: nl_a, nl_b, nl_c, nl_d 13 REAL(dp), DIMENSION(ncoa,nsoa*nl_a), INTENT(IN) :: sphi_a 18 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b,nsoc*nl_c,nsod*nl_d) :: primitives 25 DO ia = 1,nl_a
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H A D | subroutine_specific | 3 nl_a, nl_b, nl_c, nl_d,& 9 INTEGER :: nl_a, nl_b, nl_c, nl_d 10 REAL(dp), DIMENSION(nco(n_a),nso(n_a)*nl_a), INTENT(IN) :: sphi_a 15 REAL(dp), DIMENSION(nso(n_a)*nl_a, nso(n_b)*nl_b,nso(n_c)*nl_c,nso(n_d)*nl_d) :: primitives 22 DO ia = 1,nl_a
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/dports/science/cp2k-data/cp2k-7.1.0/tools/hfx_tools/contraction/templates/ |
H A D | part1 | 4 nl_a, nl_b, nl_c, nl_d,& 12 INTEGER :: nl_a, nl_b, nl_c, nl_d 13 REAL(dp), DIMENSION(ncoa,nsoa*nl_a), INTENT(IN) :: sphi_a 18 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b,nsoc*nl_c,nsod*nl_d) :: primitives 25 DO ia = 1,nl_a
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H A D | subroutine_specific | 3 nl_a, nl_b, nl_c, nl_d,& 9 INTEGER :: nl_a, nl_b, nl_c, nl_d 10 REAL(dp), DIMENSION(nco(n_a),nso(n_a)*nl_a), INTENT(IN) :: sphi_a 15 REAL(dp), DIMENSION(nso(n_a)*nl_a, nso(n_b)*nl_b,nso(n_c)*nl_c,nso(n_d)*nl_d) :: primitives 22 DO ia = 1,nl_a
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/dports/dns/gdnsd2/gdnsd-2.4.3/libgdmaps/ |
H A D | nlist.h | 58 ntree_t* nlist_xlate_tree(const nlist_t* nl_a); 60 ntree_t* nlist_merge2_tree(const nlist_t* nl_a, const nlist_t* nl_b); 62 ntree_t* nlist_merge3_tree(const nlist_t* nl_a, const nlist_t* nl_b, const nlist_t* nl_c);
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H A D | nlist.c | 327 static nlist_t* nlist_merge(const nlist_t* nl_a, const nlist_t* nl_b) { in nlist_merge() argument 328 dmn_assert(nl_a->normalized); in nlist_merge() 331 nlist_t* merged = nlist_new(nl_a->map_name, false); in nlist_merge() 333 const net_t* n_a = &nl_a->nets[0]; in nlist_merge() 335 const net_t* end_a = &nl_a->nets[nl_a->count]; in nlist_merge() 479 ntree_t* nlist_merge2_tree(const nlist_t* nl_a, const nlist_t* nl_b) { in nlist_merge2_tree() argument 480 nlist_t* merged = nlist_merge(nl_a, nl_b); in nlist_merge2_tree() 486 ntree_t* nlist_merge3_tree(const nlist_t* nl_a, const nlist_t* nl_b, const nlist_t* nl_c) { in nlist_merge3_tree() argument 487 nlist_t* merge1 = nlist_merge(nl_a, nl_b); in nlist_merge3_tree()
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/dports/science/cp2k-data/cp2k-7.1.0/src/hfxbase/ |
H A D | hfx_contraction_methods.F | 94 MARK_USED(nl_a) 12645 DO ia = 1, nl_a 12733 DO ia = 1, nl_a 12827 DO ia = 1, nl_a 12933 DO ia = 1, nl_a 13062 DO ia = 1, nl_a 13227 DO ia = 1, nl_a 13313 DO ia = 1, nl_a 13405 DO ia = 1, nl_a 13512 DO ia = 1, nl_a [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/hfxbase/ |
H A D | hfx_contraction_methods.F | 94 MARK_USED(nl_a) 12645 DO ia = 1, nl_a 12733 DO ia = 1, nl_a 12827 DO ia = 1, nl_a 12933 DO ia = 1, nl_a 13062 DO ia = 1, nl_a 13227 DO ia = 1, nl_a 13313 DO ia = 1, nl_a 13405 DO ia = 1, nl_a 13512 DO ia = 1, nl_a [all …]
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/dports/cad/gmsh/gmsh-4.9.2-source/contrib/QuadMeshingTools/ |
H A D | qmtCurveQuantization.cpp | 373 int nl_a = 0; in initialCurveQuantization() local 384 nl_a += (npts - 1); in initialCurveQuantization() 386 if(it == x_ideal.end()) x_ideal[ge] = double(nl_a); in initialCurveQuantization() 408 std::abs(double(nl_a - nl_b)) / (double(std::max(nl_a, nl_b))); in initialCurveQuantization()
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_libint_interface.F | 404 REAL(dp), DIMENSION(ncoa, nsoa*nl_a) :: sphi_a 411 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 416 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1231 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1235 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1255 primitives_virial(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1475 REAL(dp), DIMENSION(ncoa, nsoa*nl_a), INTENT(IN) :: sphi_a 1482 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1898 n_a, n_b, n_c, n_d, nl_a, nl_b, nl_c, nl_d, work2, & 1906 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & [all …]
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H A D | mp2_ri_libint.F | 177 INTEGER, DIMENSION(:, :), POINTER :: first_sgfa, nl_a local 287 nl_a => RI_basis_parameter(ikind)%nsgfl 294 max_nsgfl = MAX(max_nsgfl, nl_a(la, iset)) 295 max_coeff = MAX(max_coeff, nso(la)*nl_a(la, iset)*nco(la)) 310 nl_a => RI_basis_parameter(ikind)%nsgfl 321 DO k = sgfa + s_offset_nl_a, sgfa + s_offset_nl_a + nso(la)*nl_a(la, iset) - 1 327 s_offset_nl_a = s_offset_nl_a + nso(la)*(nl_a(la, iset))
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H A D | hfx_types.F | 868 INTEGER, DIMENSION(:, :), POINTER :: first_sgfa, nl_a local 937 nl_a => basis_parameter(ikind)%nsgfl 944 max_nsgfl = MAX(max_nsgfl, nl_a(la, iset)) 945 max_coeff = MAX(max_coeff, nso(la)*nl_a(la, iset)*nco(la)) 960 nl_a => basis_parameter(ikind)%nsgfl 971 DO k = sgfa + s_offset_nl_a, sgfa + s_offset_nl_a + nso(la)*nl_a(la, iset) - 1 977 s_offset_nl_a = s_offset_nl_a + nso(la)*(nl_a(la, iset))
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_libint_interface.F | 404 REAL(dp), DIMENSION(ncoa, nsoa*nl_a) :: sphi_a 411 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 416 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1231 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1235 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1255 primitives_virial(s_offset_a + 1:s_offset_a + nsoa*nl_a, & 1475 REAL(dp), DIMENSION(ncoa, nsoa*nl_a), INTENT(IN) :: sphi_a 1482 REAL(dp), DIMENSION(nsoa*nl_a, nsob*nl_b, nsoc*& 1898 n_a, n_b, n_c, n_d, nl_a, nl_b, nl_c, nl_d, work2, & 1906 primitives(s_offset_a + 1:s_offset_a + nsoa*nl_a, & [all …]
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H A D | mp2_ri_libint.F | 177 INTEGER, DIMENSION(:, :), POINTER :: first_sgfa, nl_a local 287 nl_a => RI_basis_parameter(ikind)%nsgfl 294 max_nsgfl = MAX(max_nsgfl, nl_a(la, iset)) 295 max_coeff = MAX(max_coeff, nso(la)*nl_a(la, iset)*nco(la)) 310 nl_a => RI_basis_parameter(ikind)%nsgfl 321 DO k = sgfa + s_offset_nl_a, sgfa + s_offset_nl_a + nso(la)*nl_a(la, iset) - 1 327 s_offset_nl_a = s_offset_nl_a + nso(la)*(nl_a(la, iset))
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H A D | hfx_types.F | 1535 INTEGER, DIMENSION(:, :), POINTER :: first_sgfa, nl_a local 1604 nl_a => basis_parameter(ikind)%nsgfl 1611 max_nsgfl = MAX(max_nsgfl, nl_a(la, iset)) 1612 max_coeff = MAX(max_coeff, nso(la)*nl_a(la, iset)*nco(la)) 1627 nl_a => basis_parameter(ikind)%nsgfl 1638 DO k = sgfa + s_offset_nl_a, sgfa + s_offset_nl_a + nso(la)*nl_a(la, iset) - 1 1644 s_offset_nl_a = s_offset_nl_a + nso(la)*(nl_a(la, iset))
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