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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/tests/
H A Dtest_davidson.cc62 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
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/tests/
H A Dtest_davidson.cc62 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
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/dports/math/octave-forge-symband/symband-1.0.10/inst/
H A DExampleEigenValues.m10 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);
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/include/votca/xtp/
H A Ddavidsonsolver.h65 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,
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/include/votca/xtp/
H A Ddavidsonsolver.h65 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,
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/
H A Ddavidsonsolver.cc156 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()
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/
H A Ddavidsonsolver.cc156 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()
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/dports/science/tinker/tinker/source/
H A Dpssrot.f42 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
H A Dscan.f39 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
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H A Dpssrigid.f43 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
/dports/cad/tochnog/Sources/Tochnog-Latest-jan-2014/
H A Dprint_pl.cc35 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()
H A Dso.cc69 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()
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H A Dprint_te.cc29 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()
H A Dprint_gm.cc27 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()
H A Dprint_g6.cc76 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()
H A Dprint_g5.cc27 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()
/dports/math/tmv/tmv-0.75/src/
H A DTMV_SymBandSVD.cpp190 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()
H A DTMV_SymSVD.cpp206 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()
H A DTMV_SymSVDecompose.cpp745 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()
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H A DTMV_BandSVD.cpp210 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()
H A DTMV_SVD.cpp238 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()
/dports/science/tinker/tinker/other/
H A Dagda.f450 integer neigen,iter
510 neigen = 5
572 subroutine loclsrch (neigen,minimum)
579 integer i,j,k,neigen,ndoi,nsearch
611 do i = 1, neigen
/dports/math/R-cran-dimRed/dimRed/R/
H A Ddiffmap.R93 neigen = pars$ndim,
/dports/science/berkeleygw/BGW-2.0.0/Common/
H A Depswrite_hdf5.f90350 integer, intent(in) :: iq, neigen local
366 neigen_of_q(iq) = neigen
/dports/math/tmv/tmv-0.75/include/tmv/
H A DTMV_SymBandSVD.h252 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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