| /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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