/dports/science/qmcpack/qmcpack-3.11.0/src/formic/utils/lmyengine/ |
H A D | spam_solver.cpp | 630 const int Nind = _le_der.cols(); in HMatVecOp() local 742 formic::ColVec<double> temp2(Nind); in HMatVecOp() 794 formic::ColVec<double> temp2(Nind); in HMatVecOp() 831 int Nind = _le_der.cols(); in HMatMatOp() local 854 …formic::dgemm('N', 'N', Ns, Nnew, Nind, 1.0, &_le_der.at(0, 0), Ns, &x.at(0, 0), Nind, 0.0, &temp.… in HMatMatOp() 872 …formic::dgemm('T', 'N', Nind, Nnew, Ns, 1.0, &_le_der.at(0, 0), Ns, &temp.at(0, 0), Ns, 0.0, &y.at… in HMatMatOp() 964 const int Nind = _le_der.cols(); in SMatVecOp() local 1094 int Nind = _le_der.cols(); in SMatMatOp() local 1114 …formic::dgemm('N', 'N', Ns, Nnew, Nind, 1.0, &_der_rat.at(0, 0), Ns, &x.at(0, 0), Nind, 0.0, &temp… in SMatMatOp() 1117 …formic::dgemm('T', 'N', Nind, Nnew, Ns, 1.0, &_der_rat.at(0, 0), Ns, &temp.at(0, 0), Ns, 0.0, &y.a… in SMatMatOp() [all …]
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H A D | davidson_solver.h | 661 const int Nind = this->_le_der.cols(); variable 678 …formic::xgemv('N', Ns, Nind, formic::unity(S()), &this->_le_der.at(0,0), Ns, &x.at(0), 1, formic::… 681 …formic::xgemv('T', Ns, Nind, formic::unity(S()), &this->_der_rat.at(0,0), Ns, &temp.at(0), 1, form… 698 …formic::xgemv('N', Ns, Nind, formic::unity(S()), &this->_le_der.at(0,0), Ns, &x.at(0), 1, formic::… 704 …formic::xgemv('T', Ns, Nind, formic::unity(S()), &this->_der_rat.at(0,0), Ns, &temp1.at(0), 1, for… 774 const int Nind = this->_le_der.cols(); variable 791 …formic::xgemv('N', Ns, Nind, formic::unity(S()), &this->_der_rat.at(0,0), Ns, &x.at(0), 1, formic:… 794 …formic::xgemv('T', Ns, Nind, formic::unity(S()), &this->_der_rat.at(0,0), Ns, &temp.at(0), 1, form… 811 …formic::xgemv('N', Ns, Nind, formic::unity(S())*this->_hd_shift, &this->_der_rat.at(0,0), Ns, &x.a… 814 …formic::xgemv('N', Ns, Nind, formic::unity(S()), &this->_le_der.at(0,0), Ns, &x.at(0), 1, formic::… [all …]
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/dports/science/afni/afni-AFNI_21.3.16/src/SUMA/ |
H A D | SUMA_SurfNorm.c | 358 SUMA_MEMBER_FACE_SETS *SUMA_MemberFaceSets (int Nind, int * FaceSetList, in SUMA_MemberFaceSets() argument 370 SUMA_LHv("Nind=%d, nFr=%d, FaceDim=%d\n", Nind, nFr, FaceDim); in SUMA_MemberFaceSets() 388 tmpMember = (int **) SUMA_allocate2D (Nind, in SUMA_MemberFaceSets() 390 RetStrct->N_Memb = (int *) SUMA_calloc (Nind, sizeof(int)); in SUMA_MemberFaceSets() 391 filled = (byte *)SUMA_calloc(Nind, sizeof(int)); in SUMA_MemberFaceSets() 404 if (inode > Nind) { in SUMA_MemberFaceSets() 428 (int **) SUMA_allocate2D (Nind, RetStrct->N_Memb_max ,sizeof(int)); in SUMA_MemberFaceSets() 437 for (inode = 0; inode < Nind; ++inode) { in SUMA_MemberFaceSets() 449 if (tmpMember) SUMA_free2D((char **)tmpMember, Nind); in SUMA_MemberFaceSets() 452 RetStrct->Nnode = Nind; in SUMA_MemberFaceSets()
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H A D | SUMA_MakeColorMap.c | 152 int Ncols = 0, N_Fid = 0, kar, i, ifact, *Nind = NULL, in main() local 534 Nind = (int *) SUMA_calloc (N_Fid/4, sizeof(int)); in main() 535 if (Fid == NULL || !Nind) { in main() 545 Nind[i] = (int)far[i+3*im->nx]; in main() 551 SM = SUMA_MakeColorMap_v2 (Fid, N_Fid/4, 0, Nind, SkipLast, FuncName); in main() 716 if (Nind) SUMA_free(Nind); in main()
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H A D | SUMA_Color.c | 5498 int *Nind; in SUMA_MakeStandardMap() local 5694 Nind[k] = 0; ++k; in SUMA_MakeStandardMap() 5696 Nind[k] = 7; ++k; in SUMA_MakeStandardMap() 5719 SUMA_free(Nind); in SUMA_MakeStandardMap() 5743 Nind[k] = 0; ++k; in SUMA_MakeStandardMap() 5745 Nind[k] = 7; ++k; in SUMA_MakeStandardMap() 5768 SUMA_free(Nind); in SUMA_MakeStandardMap() 5792 Nind[k] = 0; ++k; in SUMA_MakeStandardMap() 5810 SUMA_free(Nind); in SUMA_MakeStandardMap() 5852 SUMA_free(Nind); in SUMA_MakeStandardMap() [all …]
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H A D | SUMA_DOmanip.h | 38 SUMA_MEMBER_FACE_SETS *SUMA_MemberFaceSets (int Nind, int * FaceSetList, int nFr , int FaceDim, cha…
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
H A D | erifit.cpp | 544 size_t Nind=0; in compute_ERIfit() local 547 Nind++; in compute_ERIfit() 549 Sval=Sval.subvec(Sval.n_elem-Nind,Sval.n_elem-1); in compute_ERIfit() 550 Svec=Svec.cols(Svec.n_cols-Nind,Svec.n_cols-1); in compute_ERIfit() 637 size_t Nind=0; in compute_diag_ERIfit() local 640 Nind++; in compute_diag_ERIfit() 642 Sval=Sval.subvec(Sval.n_elem-Nind,Sval.n_elem-1); in compute_diag_ERIfit() 643 Svec=Svec.cols(Svec.n_cols-Nind,Svec.n_cols-1); in compute_diag_ERIfit()
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H A D | basis.cpp | 2906 size_t Nind=0; in projectMOs() local 2909 Nind++; in projectMOs() 2912 if(Nind<nocc) { in projectMOs() 2935 E.zeros(Nind); in projectMOs() 2965 if(nocc<Nind) { in projectMOs() 2983 MOs.cols(nocc,Nind-1)=Cnew.cols(nocc,Nind-1); in projectMOs() 3040 size_t Nind=0; in projectOMOs() local 3043 Nind++; in projectOMOs() 3046 if(Nind<nocc) { in projectOMOs() 3095 if(nocc<Nind) { in projectOMOs() [all …]
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H A D | linalg.cpp | 223 size_t Nind=0; in S_half_invhalf() local 226 Nind++; in S_half_invhalf() 228 size_t Ndep=Nbf-Nind; in S_half_invhalf() 233 for(size_t i=0;i<Nind;i++) { in S_half_invhalf()
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H A D | scf-base.cpp | 1332 size_t Nind=AO_to_NO.n_cols; in ROHF_update() local 1338 size_t Nv=Nind-Na-Nc; in ROHF_update() 1353 for(size_t v=Nind-Nv;v<Nind;v++) { // Loop over virtuals in ROHF_update() 2920 size_t Nind=0; in project_orbitals() local 2923 Nind++; in project_orbitals() 2925 …ted basis has %i linearly independent and %i dependent functions.\n",(int) Nind,(int) (Ntot-Nind)); in project_orbitals() 2929 Svec=Svec.cols(Svec.n_cols-Nind,Svec.n_cols-1); in project_orbitals() 2932 arma::mat Sinvh(Ntot,Nind); in project_orbitals() 2933 for(size_t i=0;i<Nind;i++) in project_orbitals() 2937 arma::mat C(Ntot,Nind); in project_orbitals() [all …]
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H A D | density_fitting.cpp | 134 size_t Nind=0; in fill() local 137 Nind++; in fill() 140 abval=abval.subvec(abval.n_elem-Nind,abval.n_elem-1); in fill() 141 abvec=abvec.cols(abvec.n_cols-Nind,abvec.n_cols-1); in fill()
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
H A D | erifit.cpp | 544 size_t Nind=0; in compute_ERIfit() local 547 Nind++; in compute_ERIfit() 549 Sval=Sval.subvec(Sval.n_elem-Nind,Sval.n_elem-1); in compute_ERIfit() 550 Svec=Svec.cols(Svec.n_cols-Nind,Svec.n_cols-1); in compute_ERIfit() 637 size_t Nind=0; in compute_diag_ERIfit() local 640 Nind++; in compute_diag_ERIfit() 642 Sval=Sval.subvec(Sval.n_elem-Nind,Sval.n_elem-1); in compute_diag_ERIfit() 643 Svec=Svec.cols(Svec.n_cols-Nind,Svec.n_cols-1); in compute_diag_ERIfit()
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H A D | basis.cpp | 2906 size_t Nind=0; in projectMOs() local 2909 Nind++; in projectMOs() 2912 if(Nind<nocc) { in projectMOs() 2935 E.zeros(Nind); in projectMOs() 2965 if(nocc<Nind) { in projectMOs() 2983 MOs.cols(nocc,Nind-1)=Cnew.cols(nocc,Nind-1); in projectMOs() 3040 size_t Nind=0; in projectOMOs() local 3043 Nind++; in projectOMOs() 3046 if(Nind<nocc) { in projectOMOs() 3095 if(nocc<Nind) { in projectOMOs() [all …]
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H A D | linalg.cpp | 227 size_t Nind=0; in S_half_invhalf() local 230 Nind++; in S_half_invhalf() 232 size_t Ndep=Nbf-Nind; in S_half_invhalf() 237 for(size_t i=0;i<Nind;i++) { in S_half_invhalf()
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H A D | scf-base.cpp | 1342 size_t Nind=AO_to_NO.n_cols; in ROHF_update() local 1348 size_t Nv=Nind-Na-Nc; in ROHF_update() 1363 for(size_t v=Nind-Nv;v<Nind;v++) { // Loop over virtuals in ROHF_update() 2938 size_t Nind=0; in project_orbitals() local 2941 Nind++; in project_orbitals() 2943 …ted basis has %i linearly independent and %i dependent functions.\n",(int) Nind,(int) (Ntot-Nind)); in project_orbitals() 2947 Svec=Svec.cols(Svec.n_cols-Nind,Svec.n_cols-1); in project_orbitals() 2950 arma::mat Sinvh(Ntot,Nind); in project_orbitals() 2951 for(size_t i=0;i<Nind;i++) in project_orbitals() 2955 arma::mat C(Ntot,Nind); in project_orbitals() [all …]
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H A D | density_fitting.cpp | 134 size_t Nind=0; in fill() local 137 Nind++; in fill() 140 abval=abval.subvec(abval.n_elem-Nind,abval.n_elem-1); in fill() 141 abvec=abvec.cols(abvec.n_cols-Nind,abvec.n_cols-1); in fill()
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/dports/cad/calculix-ccx/CalculiX/ccx_2.18/test/ |
H A D | couseg3.inp | 92 *NSET,NSET=Nind 138 Nind
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H A D | couseg2.inp | 92 *NSET,NSET=Nind 138 Nind
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/dports/science/helfem/HelFEM-21461e9/src/general/ |
H A D | scf_helpers.cpp | 491 size_t Nind=AO_to_NO.n_cols; in ROHF_update() local 497 size_t Nv=Nind-Na-Nc; in ROHF_update() 512 for(size_t v=Nind-Nv;v<Nind;v++) { // Loop over virtuals in ROHF_update()
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/dports/science/py-scipy/scipy-1.7.1/scipy/sparse/csgraph/ |
H A D | _shortest_path.pyx | 627 unsigned int Nind = source_indices.shape[0] 636 for i in range(Nind): 732 unsigned int Nind = dist_matrix.shape[0] 745 for i in range(Nind): 780 unsigned int Nind = source_indices.shape[0] 831 unsigned int Nind = dist_matrix.shape[0] 844 for i in range(Nind): 1076 unsigned int Nind = dist_matrix.shape[0] 1082 for i in range(Nind): 1117 unsigned int Nind = dist_matrix.shape[0] [all …]
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/external/ |
H A D | fchkpt.cpp | 162 size_t Nind=Nbf*(Nbf+1)/2; in write_density() local 165 fprintf(out,"%-42s R %s %11i\n",entry.c_str(),"N=",(int) (Nind)); in write_density() 198 if(ntot!=Nind) in write_density()
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/external/ |
H A D | fchkpt.cpp | 162 size_t Nind=Nbf*(Nbf+1)/2; in write_density() local 165 fprintf(out,"%-42s R %s %11i\n",entry.c_str(),"N=",(int) (Nind)); in write_density() 198 if(ntot!=Nind) in write_density()
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/dports/lang/erlang-runtime23/otp-OTP-23.3.4.10/lib/stdlib/src/ |
H A D | io_lib_pretty.erl | 250 Nind = Nlen + 1, 251 {Col, Ind, S, W} = rec_indent(Nind, TInd, Col0, Ind0, W0), 1042 Nind = Nlen + 1, 1043 {Col, W} = cind_rec(Nind, Col0, Ll, M, Ind, W0),
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/dports/lang/erlang-runtime21/otp-OTP-21.3.8.24/lib/stdlib/src/ |
H A D | io_lib_pretty.erl | 248 Nind = Nlen + 1, 249 {Col, Ind, S, W} = rec_indent(Nind, TInd, Col0, Ind0, W0), 1036 Nind = Nlen + 1, 1037 {Col, W} = cind_rec(Nind, Col0, Ll, M, Ind, W0),
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/dports/lang/erlang-runtime22/otp-OTP-22.3.4.24/lib/stdlib/src/ |
H A D | io_lib_pretty.erl | 250 Nind = Nlen + 1, 251 {Col, Ind, S, W} = rec_indent(Nind, TInd, Col0, Ind0, W0), 1045 Nind = Nlen + 1, 1046 {Col, W} = cind_rec(Nind, Col0, Ll, M, Ind, W0),
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