/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
H A D | rohf_canon.F | 14 integer g_u, g_fock, g_tmp 46 call ga_pdsyev(g_fock, g_u, dbl_mb(k_eval), 0) 48 call ga_diag_std(g_fock, g_u, dbl_mb(k_eval)) 51 call ga_diag_std_seq(g_fock, g_u, dbl_mb(k_eval)) 63 $ (g_fock, g_u, dbl_mb(k_eval+nclosed), 69 $ call rohf_canon_subspace(g_fock, g_u, 76 call movecs_fix_phase(g_u) 122 if (.not. ga_destroy(g_u)) 136 integer g_fock, g_u, ilo, ihi, irs(*) 153 call rohf_canon_sub0(g_fock, g_u, evals, ilo, ihi, [all …]
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H A D | rohf_k2cf.F | 42 $ g_kvec, g_u ) 56 integer g_kvec, g_u 78 call ga_zero(g_u) 84 call ga_put(g_u,ivoff,nmo,i,i,dbl_mb(k_tmp),nvir) 86 call ga_put(g_u,i,i,ivoff,nmo,dbl_mb(k_tmp),1) 94 call ga_put(g_u,(nclosed+1),(nclosed+nopen),i,i, 97 call ga_put(g_u,i,i,(nclosed+1),(nclosed+nopen), 113 call ga_maxelt(g_u, kmax) 115 call ga_screen(g_u, kmax) 119 call matrix_exp(g_u )
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H A D | scf_lindep.F | 1 subroutine scf_lindep(rtdb, geom, basis, g_u, n_indep) argument 11 integer g_u ! [input] GA handle for output vectors 54 call ga_pdsyev(g_over, g_u, dbl_mb(k_ev), 0) 56 call ga_diag_std(g_over, g_u, dbl_mb(k_ev)) 59 call ga_diag_std_seq(g_over, g_u, dbl_mb(k_ev)) 118 call ga_get(g_u, 1, nbf, j, j, dbl_mb(k_ev), nbf) 119 call ga_put(g_u, 1, nbf, i, i, dbl_mb(k_ev), nbf)
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H A D | rhf_dens_mo.F | 27 integer g_fock, g_over, g_hcore, g_tmp, g_mofock, g_u 120 $ 32, 32, g_u)) call errquit('rhf_d_m: u',0, GA_ERR) 128 call ga_pdsyev(g_mofock, g_u, evals, 0) 130 call ga_diag_std(g_mofock, g_u, evals ) 133 call ga_diag_std_seq(g_mofock, g_u, evals ) 138 call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, g_tmp, g_u, 140 if (.not. ga_destroy(g_u)) call errquit('rhf_d_m: ga?',0, GA_ERR)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
H A D | rohf_canon.F | 14 integer g_u, g_fock, g_tmp 44 call util_diag_std(g_fock, g_u, dbl_mb(k_eval)) 55 $ (g_fock, g_u, dbl_mb(k_eval+nclosed), 61 $ call rohf_canon_subspace(g_fock, g_u, 68 call movecs_fix_phase(g_u) 78 call ga_dgemm('n', 'n', nbf, nmo, nmo, one, g_tmp, g_u, 91 call ga_dgemm('t', 'n', nmo, nmo, nmo, one, g_u, g_tmp, 114 if (.not. ga_destroy(g_u)) 128 integer g_fock, g_u, ilo, ihi, irs(*) 145 call rohf_canon_sub0(g_fock, g_u, evals, ilo, ihi, [all …]
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H A D | rohf_k2cf.F | 42 $ g_kvec, g_u ) 56 integer g_kvec, g_u 78 call ga_zero(g_u) 84 call ga_put(g_u,ivoff,nmo,i,i,dbl_mb(k_tmp),nvir) 86 call ga_put(g_u,i,i,ivoff,nmo,dbl_mb(k_tmp),1) 94 call ga_put(g_u,(nclosed+1),(nclosed+nopen),i,i, 97 call ga_put(g_u,i,i,(nclosed+1),(nclosed+nopen), 113 call ga_maxelt(g_u, kmax) 115 call ga_screen(g_u, kmax) 119 call matrix_exp(g_u )
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H A D | scf_lindep.F | 1 subroutine scf_lindep(rtdb, geom, basis, g_u, n_indep) argument 11 integer g_u ! [input] GA handle for output vectors 52 call util_diag_std(g_over, g_u, dbl_mb(k_ev)) 110 call ga_get(g_u, 1, nbf, j, j, dbl_mb(k_ev), nbf) 111 call ga_put(g_u, 1, nbf, i, i, dbl_mb(k_ev), nbf)
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H A D | rhf_dens_mo.F | 27 integer g_fock, g_over, g_hcore, g_tmp, g_mofock, g_u 120 $ 32, 32, g_u)) call errquit('rhf_d_m: u',0, GA_ERR) 126 call util_diag_std(g_mofock, g_u, evals ) 130 call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, g_tmp, g_u, 132 if (.not. ga_destroy(g_u)) call errquit('rhf_d_m: ga?',0, GA_ERR)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
H A D | get_vecB1.F | 31 & g_rhs,g_u 100 call ga_zero(g_u) 102 & g_u ,qlo,qhi) 106 & g_u ,alo,ahi, 115 if (.not.ga_destroy(g_u)) call 152 & g_rhs,g_u,g_u_oo(npol) 233 call ga_zero(g_u) 235 & g_u ,qlo,qhi) 241 & g_u ,rlo,rhi) 245 & g_u ,alo,ahi, [all …]
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H A D | hnd_psoten.F | 36 integer g_d1(3),g_rhs,g_u(2) 66 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(1))) call 68 call ga_zero(g_u(1)) 69 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(2))) call 71 call ga_zero(g_u(2)) 184 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(1),alo,ahi) 187 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(2),alo,ahi) 237 & g_u(ii),alo,ahi,g_d1(ii),dlo,dhi) 247 & g_u(ii),alo,ahi,g_d1(ii),clo,chi) 253 if (.not.ga_destroy(g_u(1))) call [all …]
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H A D | hnd_sdfc.F | 36 integer g_d1(3),g_rhs,g_u(2) 79 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(1))) call 81 call ga_zero(g_u(1)) 82 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(2))) call 84 call ga_zero(g_u(2)) 240 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(1),alo,ahi) 243 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(2),alo,ahi) 293 & g_u(ii),alo,ahi,g_d1(ii),dlo,dhi) 303 & g_u(ii),alo,ahi,g_d1(ii),clo,chi) 311 if (.not.ga_destroy(g_u(1))) call [all …]
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H A D | get_vecF1.F | 33 & g_u 76 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u)) call 112 call ga_zero(g_u) 114 & g_u ,qlo,qhi) 118 & g_u ,alo,ahi, 122 call ga_zero(g_u) 124 & g_u ,qlo,qhi) 128 & g_u ,alo,ahi, 133 if (.not.ga_destroy(g_u)) call
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H A D | giao_b1_movecs.F | 46 integer g_dens(3), g_s10, g_d1, g_rhs, g_fock, g_u(2) 206 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(ispin))) call 208 call ga_zero(g_u(ispin)) 236 & g_u, !out: 255 & g_u, ! in : 428 & g_u, ! in : occ-occ of g_u 451 if (.not.ga_destroy(g_u(ispin))) call
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
H A D | get_vecB1.F | 31 & g_rhs,g_u 100 call ga_zero(g_u) 102 & g_u ,qlo,qhi) 106 & g_u ,alo,ahi, 115 if (.not.ga_destroy(g_u)) call 152 & g_rhs,g_u,g_u_oo(npol) 233 call ga_zero(g_u) 235 & g_u ,qlo,qhi) 241 & g_u ,rlo,rhi) 245 & g_u ,alo,ahi, [all …]
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H A D | hnd_psoten.F | 36 integer g_d1(3),g_rhs,g_u(2) 66 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(1))) call 68 call ga_zero(g_u(1)) 69 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(2))) call 71 call ga_zero(g_u(2)) 184 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(1),alo,ahi) 187 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(2),alo,ahi) 237 & g_u(ii),alo,ahi,g_d1(ii),dlo,dhi) 247 & g_u(ii),alo,ahi,g_d1(ii),clo,chi) 253 if (.not.ga_destroy(g_u(1))) call [all …]
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H A D | hnd_sdfc.F | 36 integer g_d1(3),g_rhs,g_u(2) 79 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(1))) call 81 call ga_zero(g_u(1)) 82 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(2))) call 84 call ga_zero(g_u(2)) 240 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(1),alo,ahi) 243 call nga_copy_patch('n',g_rhs,blo,bhi,g_u(2),alo,ahi) 293 & g_u(ii),alo,ahi,g_d1(ii),dlo,dhi) 303 & g_u(ii),alo,ahi,g_d1(ii),clo,chi) 311 if (.not.ga_destroy(g_u(1))) call [all …]
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H A D | get_vecF1.F | 33 & g_u 76 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u)) call 112 call ga_zero(g_u) 114 & g_u ,qlo,qhi) 118 & g_u ,alo,ahi, 122 call ga_zero(g_u) 124 & g_u ,qlo,qhi) 128 & g_u ,alo,ahi, 133 if (.not.ga_destroy(g_u)) call
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H A D | giao_b1_movecs.F | 46 integer g_dens(3), g_s10, g_d1, g_rhs, g_fock, g_u(2) 206 if (.not.nga_create(MT_DBL,3,ahi,'U matrix',alo,g_u(ispin))) call 208 call ga_zero(g_u(ispin)) 236 & g_u, !out: 255 & g_u, ! in : 428 & g_u, ! in : occ-occ of g_u 451 if (.not.ga_destroy(g_u(ispin))) call
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/dports/math/bonmin/Bonmin-releases-1.8.8/Bonmin/src/CbcBonmin/Heuristics/ |
H A D | BonHeuristicDive.cpp | 101 const double* g_u = minlp->g_u(); in solution() local 262 new_g_sol[iRow]>g_u[iRow]+primalTolerance) { in solution() 271 <<"g_u["<<iRow<<"]= "<<g_u[iRow]<<endl; in solution() 321 const double* g_u = minlp->g_u(); in isNlpFeasible() local 332 g_sol[iRow]>g_u[iRow]+primalTolerance) { in isNlpFeasible() 353 const double* g_u = minlp->g_u(); in adjustPrimalTolerance() local 358 } else if(g_sol[iRow]>g_u[iRow]+primalTolerance) { in adjustPrimalTolerance() 359 primalTolerance = g_sol[iRow]-g_u[iRow]; in adjustPrimalTolerance()
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/dports/devel/ga/ga-5.8/global/testing/ |
H A D | jacobi.F | 46 integer g_u, g_ux, g_diff ! handles to global arrays local 65 if (.not. ga_create(MT_DBL, m, m, 'u', 1, 1, g_u)) 105 call ga_zero(g_u) 118 call ga_access(g_u, ilo, ihi, jlo, jhi, index, ld) 125 call ga_release_update(g_u, ilo, ihi, jlo, jhi) 129 call ga_add(1d0, g_u, -1d0, g_ux, g_diff) ! g_diff = g_u - g_ux 143 call ga_get(g_u, max(1,ilo-1), min(m,ihi+1), 158 if(.not. ga_destroy(g_u)) call ga_error('invalid handle ?',0)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mcscf/ |
H A D | mcscf_aux.F | 1175 integer g_tmp, g_u, g_v, g_z 1202 call ga_diag_std( g_tmp, g_u, eps ) 1209 if (.not.ga_destroy(g_u)) 1238 if (.not.ga_destroy(g_u)) 1268 if (.not.ga_destroy(g_u)) 1462 integer g_u local 1466 call ga_zero(g_u) 1468 call ga_put(g_u,i,i,i,i,1.d0,1) 1473 call ga_put(g_u,ii,ii,ii,ii,xx,1) 1474 call ga_put(g_u,jj,jj,jj,jj,xx,1) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/mcscf/ |
H A D | mcscf_aux.F | 1175 integer g_tmp, g_u, g_v, g_z 1202 call ga_diag_std( g_tmp, g_u, eps ) 1209 if (.not.ga_destroy(g_u)) 1238 if (.not.ga_destroy(g_u)) 1268 if (.not.ga_destroy(g_u)) 1462 integer g_u local 1466 call ga_zero(g_u) 1468 call ga_put(g_u,i,i,i,i,1.d0,1) 1473 call ga_put(g_u,ii,ii,ii,ii,xx,1) 1474 call ga_put(g_u,jj,jj,jj,jj,xx,1) [all …]
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/dports/graphics/gegl/gegl-0.4.34/operations/common-cxx/ |
H A D | distance-transform.cc | 69 static gint edt_sep (gint i, gint u, gfloat g_i, gfloat g_u); 71 static gint mdt_sep (gint i, gint u, gfloat g_i, gfloat g_u); 124 edt_sep (gint i, gint u, gfloat g_i, gfloat g_u) 126 return (u * u - i * i + ((gint) (g_u * g_u - g_i * g_i))) / (2 * (u - i)); 137 mdt_sep (gint i, gint u, gfloat g_i, gfloat g_u) 139 if (g_u >= g_i + u - i + EPSILON) 141 if (g_i > g_u + u - i + EPSILON) 144 return (((gint) (g_u - g_i)) + u + i) / 2; 156 cdt_sep (gint i, gint u, gfloat g_i, gfloat g_u) 158 if (g_i <= g_u) [all …]
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/dports/math/cppad/CppAD-20210000.8/cppad_ipopt/test/ |
H A D | multiple_solution.cpp | 102 NumberVector g_u(m); in multiple_solution() local 103 g_l[0] = -1; g_u[0] = 0.; in multiple_solution() 104 g_l[1] = 0.; g_u[1] = 1.; in multiple_solution() 113 n, m, x_i, x_l, x_u, g_l, g_u, fg_info, &solution in multiple_solution()
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/dports/math/cppad/CppAD-20210000.8/cppad_ipopt/example/ |
H A D | get_started.cpp | 112 NumberVector g_u(m); in ipopt_get_started() local 113 g_l[0] = 25.0; g_u[0] = 1.0e19; in ipopt_get_started() 114 g_l[1] = 40.0; g_u[1] = 40.0; in ipopt_get_started() 129 n, m, x_i, x_l, x_u, g_l, g_u, &fg_info, &solution in ipopt_get_started()
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