/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/tests/ |
H A D | test_davidson.cc | 62 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 67 DS.solve(A, neigen); in BOOST_AUTO_TEST_CASE() 86 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 91 DS.solve(A, neigen); in BOOST_AUTO_TEST_CASE() 110 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 117 DS.solve(A, neigen); in BOOST_AUTO_TEST_CASE() 170 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 180 DS.solve(Aop, neigen); in BOOST_AUTO_TEST_CASE() 202 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 284 Index neigen = 5; in BOOST_AUTO_TEST_CASE() local [all …]
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/tests/ |
H A D | test_davidson.cc | 62 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 67 DS.solve(A, neigen); in BOOST_AUTO_TEST_CASE() 86 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 91 DS.solve(A, neigen); in BOOST_AUTO_TEST_CASE() 110 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 117 DS.solve(A, neigen); in BOOST_AUTO_TEST_CASE() 170 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 180 DS.solve(Aop, neigen); in BOOST_AUTO_TEST_CASE() 202 Index neigen = 10; in BOOST_AUTO_TEST_CASE() local 284 Index neigen = 5; in BOOST_AUTO_TEST_CASE() local [all …]
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/dports/math/octave-forge-symband/symband-1.0.10/inst/ |
H A D | ExampleEigenValues.m | 10 neigen=6; % number of eigenvalues to be computed 38 eigenOct=eigenOct(1:neigen); 41 V=rand(N,neigen); %% random initial eigen vectors 46 eigen=sort(eigen(1:neigen)); 48 exact=zeros(neigen*neigen,1); 49 for i=1:neigen 50 for j=1:neigen 51 exact((i-1)*neigen+j)=((2/(hx*hx)*(1-cos((i*pi)/(nx+1)))+... 56 exact=sort(exact)(1:neigen);
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/include/votca/xtp/ |
H A D | davidsonsolver.h | 65 void solve(const MatrixReplacement &A, Index neigen, 68 if (max_search_space_ < neigen) { in setLogger() 69 max_search_space_ = neigen * 5; in setLogger() 80 size_initial_guess = 2 * neigen; in getDeltaE() 100 bool converged = checkConvergence(rep, proj, neigen); 102 printIterationData(rep, proj, neigen); 107 storeConvergedData(rep, neigen); 220 Index getSizeUpdate(Index neigen) const; 230 Index neigen) const; 249 ProjectedSpace initProjectedSpace(Index neigen, [all …]
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/include/votca/xtp/ |
H A D | davidsonsolver.h | 65 void solve(const MatrixReplacement &A, Index neigen, 68 if (max_search_space_ < neigen) { 69 max_search_space_ = neigen * 5; 80 size_initial_guess = 2 * neigen; 100 bool converged = checkConvergence(rep, proj, neigen); 102 printIterationData(rep, proj, neigen); 107 storeConvergedData(rep, neigen); 220 Index getSizeUpdate(Index neigen) const; 230 Index neigen) const; 249 ProjectedSpace initProjectedSpace(Index neigen, [all …]
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/ |
H A D | davidsonsolver.cc | 156 size_update = neigen; in getSizeUpdate() 159 if (neigen < 20) { in getSizeUpdate() 162 size_update = neigen + 10; in getSizeUpdate() 166 size_update = 2 * neigen; in getSizeUpdate() 169 size_update = 2 * neigen; in getSizeUpdate() 521 DavidsonSolver::storeEigenPairs(rep, neigen); in storeConvergedData() 529 Index neigen) { in storeNotConvergedData() argument 531 DavidsonSolver::storeEigenPairs(rep, neigen); in storeNotConvergedData() 535 for (Index i = 0; i < neigen; i++) { in storeNotConvergedData() 543 percent_converged /= double(neigen); in storeNotConvergedData() [all …]
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/ |
H A D | davidsonsolver.cc | 156 size_update = neigen; in getSizeUpdate() 159 if (neigen < 20) { in getSizeUpdate() 162 size_update = neigen + 10; in getSizeUpdate() 166 size_update = 2 * neigen; in getSizeUpdate() 169 size_update = 2 * neigen; in getSizeUpdate() 521 DavidsonSolver::storeEigenPairs(rep, neigen); in storeConvergedData() 529 Index neigen) { in storeNotConvergedData() argument 531 DavidsonSolver::storeEigenPairs(rep, neigen); in storeNotConvergedData() 535 for (Index i = 0; i < neigen; i++) { in storeNotConvergedData() 543 percent_converged /= double(neigen); in storeNotConvergedData() [all …]
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/dports/science/tinker/tinker/source/ |
H A D | pssrot.f | 42 integer npoint,neigen 113 neigen = -1 115 if (exist) read (string,*,err=60,end=60) neigen 117 if (neigen .le. 0) then 121 read (input,80) neigen 123 if (neigen .le. 0) neigen = 5 191 & call moderot (neigen,minimum,grdmin) 286 subroutine moderot (neigen,minimum,grdmin) argument 292 integer i,k,neigen local 336 do i = 1, neigen
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H A D | scan.f | 39 integer nvec,neigen 67 neigen = -1 69 if (exist) read (string,*,err=10,end=10) neigen 72 if (neigen .le. 0) then 76 read (input,30) neigen 78 if (neigen .le. 0) neigen = nvec 80 neigen = min(neigen,nvec) 159 call modesrch (nmap,emap,range,neigen,grdmin) 364 subroutine modesrch (nmap,emap,range,neigen,grdmin) argument 369 integer nmap,neigen local [all …]
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H A D | pssrigid.f | 43 integer npoint,neigen 114 neigen = -1 116 if (exist) read (string,*,err=60,end=60) neigen 118 if (neigen .le. 0) then 123 read (input,80) neigen 125 if (neigen .gt. nvar) neigen = nvar 204 & call modergd (neigen,minimum,grdmin) 307 subroutine modergd (neigen,minimum,grdmin) argument 316 integer neigen,ndoi local 363 do i = 1, neigen
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/dports/cad/tochnog/Sources/Tochnog-Latest-jan-2014/ |
H A D | print_pl.cc | 35 ieigen=0, neigen=0, eigen_mode=0, in print_plotmtv() local 71 neigen, VERSION_NORMAL, GET_IF_EXISTS ); in print_plotmtv() 74 if ( ieigen>=0 && ieigen>(neigen-1) ) db_error( CONTROL_PRINT_PLOTMTV, icontrol ); in print_plotmtv() 91 nval += neigen; // deformed mesh eigen in print_plotmtv() 92 nval += neigen*npuknwn; // eigen modes of principal unknowns in print_plotmtv() 131 if ( ival>=indx && ival<indx+neigen*npuknwn && neigen>0 ) { in print_plotmtv() 140 if ( ndim<MDIM && eigen_mode<neigen && dof_principal[iuknwn]>=0 ) in print_plotmtv() 143 indx += neigen*npuknwn; in print_plotmtv()
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H A D | so.cc | 69 icontrol=0, ieigen=0, neigen=0, neigen_positive=0, in solve() local 323 neigen = control_eigen[1]; in solve() 324 if ( swit ) pri( "neigen", neigen ); in solve() 325 if ( neigen>solve_nlocal ) neigen = solve_nlocal; in solve() 327 if ( neigen*nuknwn>DATA_ITEM_SIZE ) in solve() 375 if ( neigen>0 ) { in solve() 442 if ( neigen>0 && jlocal>=ilocal ) { in solve() 524 if ( neigen>0 ) { in solve() 655 if ( neigen>0 ) { in solve() 702 for ( ieigen=0; ieigen<neigen; ieigen++ ) { in solve() [all …]
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H A D | print_te.cc | 29 ncalcul=0, ieigen=0, neigen=0, icontrol=0, in print_tecplot() local 75 neigen, VERSION_NORMAL, GET_IF_EXISTS ); in print_tecplot() 78 if ( ieigen>=0 && ieigen>(neigen-1) ) db_error( CONTROL_PRINT_TECPLOT, icontrol ); in print_tecplot() 107 for ( i=0; i<neigen; i++ ) { in print_tecplot() 171 for ( i=0; i<neigen; i++ ) in print_tecplot()
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H A D | print_gm.cc | 27 icalcul=0, ncalcul=0, ieigen=0, neigen=0, in print_gmv() local 64 neigen = db_len( CONTROL_EIGEN_VALUES, 0, VERSION_NORMAL ); in print_gmv() 67 if ( ieigen>=0 && ieigen>(neigen-1) ) db_error( CONTROL_PRINT_PLOTMTV, icontrol ); in print_gmv() 172 if ( neigen>0 ) { in print_gmv() 174 for ( ieigen=0; ieigen<neigen; ieigen++ ) { in print_gmv()
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H A D | print_g6.cc | 76 icalcul=0, nval=0, ready=0, indx=0, eigen_analysis=0, neigen=0, in print_gid_6() local 143 neigen, VERSION_NORMAL, GET_IF_EXISTS ) ) eigen_analysis = 1; in print_gid_6() 146 neigen = 1; in print_gid_6() 376 for ( ieigen=0; ieigen<neigen; ieigen++ ) { in print_gid_6()
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H A D | print_g5.cc | 27 icalcul=0, nval=0, ready=0, indx=0, eigen_analysis=0, neigen=0, in print_gid_5() local 91 neigen, VERSION_NORMAL, GET_IF_EXISTS ) ) eigen_analysis = 1; in print_gid_5() 94 neigen = 1; in print_gid_5() 354 for ( ieigen=0; ieigen<neigen; ieigen++ ) { in print_gid_5()
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/dports/math/tmv/tmv-0.75/src/ |
H A D | TMV_SymBandSVD.cpp | 190 void HermBandSVDiv<T>::top(ptrdiff_t neigen, std::ostream* debugout) const in top() argument 192 TMVAssert(neigen > 0); in top() 193 if (neigen < pimpl->S.size()) pimpl->kmax = neigen; in top() 405 void SymBandSVDiv<T>::top(ptrdiff_t neigen,std::ostream* debugout) const in top() argument 407 TMVAssert(neigen > 0); in top() 408 TMVAssert(neigen <= pimpl->S.size()); in top() 409 pimpl->kmax = neigen; in top()
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H A D | TMV_SymSVD.cpp | 206 void HermSVDiv<T>::top(ptrdiff_t neigen, std::ostream* debugout) const in top() argument 208 TMVAssert(neigen > 0); in top() 209 if (neigen < pimpl->S.size()) pimpl->kmax = neigen; in top() 433 void SymSVDiv<T>::top(ptrdiff_t neigen, std::ostream* debugout) const in top() argument 435 TMVAssert(neigen > 0); in top() 436 TMVAssert(neigen <= pimpl->S.size()); in top() 437 pimpl->kmax = neigen; in top()
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H A D | TMV_SymSVDecompose.cpp | 745 int neigen = 0; in LapEigenFromTridiagonal() local 808 if (Lap_info > 0 || E1(n-1) > 0.F || neigen < n || in LapEigenFromTridiagonal() 816 else if (neigen < n) in LapEigenFromTridiagonal() 852 int neigen; in LapEigenFromTridiagonal() local 896 if (Lap_info > 0 || E1(n-1) > 0.F || neigen < n || in LapEigenFromTridiagonal() 904 else if (neigen < n) in LapEigenFromTridiagonal() 941 int neigen; in LapEigenFromTridiagonal() local 985 else if (neigen < n) in LapEigenFromTridiagonal() 1021 int neigen; in LapEigenFromTridiagonal() local 1057 if (Lap_info > 0 || E1(n-1) > 0.F || neigen < n || in LapEigenFromTridiagonal() [all …]
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H A D | TMV_BandSVD.cpp | 210 void BandSVDiv<T>::top(ptrdiff_t neigen, std::ostream* debugout) const in top() argument 212 TMVAssert(neigen > 0); in top() 213 if (neigen < pimpl->S.size()) pimpl->kmax = neigen; in top()
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H A D | TMV_SVD.cpp | 238 void SVDiv<T>::top(ptrdiff_t neigen, std::ostream* debugout) const in top() argument 240 TMVAssert(neigen > 0); in top() 241 if (neigen < pimpl->S.size()) pimpl->kmax = neigen; in top()
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/dports/science/tinker/tinker/other/ |
H A D | agda.f | 450 integer neigen,iter 510 neigen = 5 572 subroutine loclsrch (neigen,minimum) 579 integer i,j,k,neigen,ndoi,nsearch 611 do i = 1, neigen
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/dports/math/R-cran-dimRed/dimRed/R/ |
H A D | diffmap.R | 93 neigen = pars$ndim,
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/dports/science/berkeleygw/BGW-2.0.0/Common/ |
H A D | epswrite_hdf5.f90 | 350 integer, intent(in) :: iq, neigen local 366 neigen_of_q(iq) = neigen
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/dports/math/tmv/tmv-0.75/include/tmv/ |
H A D | TMV_SymBandSVD.h | 252 void top(ptrdiff_t neigen, std::ostream* debugout=0) const; 340 void top(ptrdiff_t neigen, std::ostream* debugout=0) const;
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