21.04.2021 MIGRATION TO GIT, TAG 1.0 11.06.2020 Nested commutators and Hausdorff formula applied to a ket vector using only matrix*vector operation 10.06.2020 File IO for bitvector 08.06.2020 Trick to access real and imag part of complex as l-value (pointer to real) 12.01.2020 RELEASE 0.10 06.01.2020 minor fix in multiply_by_inverse 05.01.2020 quaternions and lightweight 3-dim vector and matrix class, compatible but independent from the remainder of LA, to be usable also on MCUs 30.12.2019 removed #define complex 13.11.2019 RELEASE 0.9 12.11.2019 fourindex_dense with nosymetry implemented 12.11.2019 fourindex.cc created for template specializations 12.11.2019 fourindex optional scaling and terminator 11.11.2019 fourindex for twobody integrals with reduced symmetry 08.11.2019 Conversion constructor for NRMat_from1(NRSMat_from1) 31.03.2019 AUTOCONF files adapted for using MKL as first option 07.11.2018 NRMat nonsymmetry and nonhermiticity 03.11.2018 bugfix in bitvector class 25.07.2018 minor bugfix and improvement in davidson.h 12.07.2018 bugfix in fourindex_dense::operator() 11.07.2018 added new symmetry type to fourindex.h 06.11.2017 smat.cc fixed complex lvalue problem for g++ 6.4.0 25.10.2017 bitvector improved input from stream 27.09.2017 DIIS extended to optionally compute extrapolated error vector 08.11.2016 implemented swap_rows(i,j) and swap_cols(i,j) for NRMat 28.06.2016 minor changes in Makefile.am to work smoothly with recent autotools 28.06.2016 fixed determinant sign issue due to dgesv ipiv counting from 1 in nonclass.cc 11.11.2015 autotool files changed to support separate only-static ATLAS libraries 05.03.2015 operator>> for fourindex_ext 27.10.2014 added interface for Lapack SVD of complex matrices 27.10.2014 diagonalset() for rectangular matrices 04.11.2013 added conjugateme() for corder=1 in complex diagonalize() and gdiagonalize() to get correct eigenvector convention for C-storage 30.10.2013 macros for consistent lowercase and uppercase of character parameters for case sensitive BLAS and LAPACK; case-insesitivness of these in vec.cc and mat.cc (cublas still not treated) 29.10.2013 included la_traits.h in nonclass.c to get correct extern "C" of cblas 14.10.2013 added operator% to bivector 01.06.2012 more efficient clear() by detachonly parameter to copyonwrite() 14.03.2012 fixed overflow in product of dimensions of NRMat and NRSMat 13.03.2012 symmetry of integrals with different spins added to fourindex.h 23.02.2012 included unistd.h 23.02.2012 fixed max read/write size in multiget and multiput to 1GB 24.01.2012 Improved DIIS (L.V.) 19.01.2012 Fixed location for gpu in nonclass.cc 02.06.2011 In oplus() =0 replaced by clear() to work on non-square matrices (J.P.) 01.02.2011 Added trace2 for complex matrices by L. Veis 18.01.2011 Minor bugfixes and compatibility with Intel C++ compiler by Roman Curik 28.12.2010 Generalized diagonalization and functions of general complex matrices 21.12.2010 Changed to size_t in matrix put,get to prevent overflow 08.12.2010 Deallocate method added to LA_traits, used for memory saving in matrix exp 24.11.2010 Added checking for integer overflow in exptimes 23.10.2010 Fixed dependency on atlas for static libraries in configure.ac 27.09.2010 Seed of CSRMat class added. 22.09.2010 Allowed formal operator[] on gpu matrices 22.09.2010 Added submatrix() to SparseSMat 22.09.2010 Zgerc and zgeru implemented in non-cblas version 21.09.2010 Fixed a bug in laerror macro causing sometimes compilation problems 08.09.2010 RELEASE 0.6 08.09.2010 Doxygen documentation for NRVec, NRMat, NRSMat classes contributed by M. Sulc 08.09.2010 Extended CUBLAS support for NRVec, NRMat, NRSMat classes contributed by M. Sulc 08.09.2010 Minor bugfixes and improvements contributed by M. Sulc 25.06.2010 Added proof-of-concept CUBLAS support for NRVec, NRMat, NRSMat 24.06.2010 Fixed a memory leak existing when MATPTR was defined 18.06.2010 added autoconf support for BLAS+LAPACK compiled with 64-bit integers and for CUBLAS 11.06.2010 interface to fortran BLAS+LAPACK compiled with 64-bit integers contributed by L. Veis 25.02.2010 linear_solve_x and multiply_by_inverse contributed by M. Sulc 17.01.2010 miscellaneous extensions contributed by M. Sulc 17.01.2010 bugfix in NRMat::operator *= += -= for non-square matrix 15.01.2010 added check for cblas.h and clapack.h 13.01.2010 fixed ::fscanf to be compilable by gcc 4.4 10.01.2010 outer product with sparse result otimes_sparse added 09.01.2010 typedef ROWTYPE for NRVec and SparseSMat for assignable elements/rows via operator[] 09.01.2010 SparseSMat adapted to rectangular matrices (except gemm) 07.01.2010 Fixed a bug in SparseSMat::axpy 07.01.2010 Pivoted Cholesky decomposition for positive semidefinite SparseSMat-rices 05.01.2010 Cholesky decomposition lapack interface implemented 04.01.2010 NRMat * SparseSMat 28.12.2009 added put and get for sparsesmat, fixed put/get bug in traits (contrib. L. Veis) 15.12.2009 added possibility for a user-defined initial guess in davidson 20.11.2009 removed #include config.h from LA_traits.h 19.11.2009 fixed a bug in SparseMat::norm() and SparseSMat::norm() 19.11.2009 added SparseSMat::operator* for NRVec and SparseSMat::diagonalof 13.11.2009 RELEASE 0.5 13.11.2009 libtool employed to create also shared library version 12.11.2009 library enclosed in the namespace LA 12.11.2009 #defines for numerical parameters changed to const doubles 12.11.2009 added SparseSMat class for efficient exponentiation of sparse complex symmetric matrices 12.11.2009 removed unnecessary casts in complex vec,mat,smat routines 12.11.2009 fixed bug in complex NRSMat operator +=,-= 11.11.2009 changed default SPARSEEPSILON threshold value 10.11.2009 removing 'using namespace std' from the main include, leaving this to the user's discretion 10.11.2009 NRVec::otimes introduced 04.11.2009 improved efficiency of complex matrix exp 04.11.2009 fixed return type for complex sparsemat::norm 19.10.2009 added modified GS orthomormalization with optional metric 15.10.2009 added support for long long 07.10.2009 RELEASE 0.4 06.10.2009 autoconf/automake for user convenience 13.09.2009 RELEASE 0.3 04.09.2009 fixed a bug with missing copyonwrite() inside clear() 02.09.2009 fixed a numerical problem in exptimes() for large values of scale 04.06.2009 fixed a regression due to use of normtype 28.05.2009 removed the export keyword unsupported in g++ 28.05.2009 fixed normtype in la_traits 28.05.2009 randomize() added for complex 28.05.2009 Added interface for complex hermitean matrix diagonalization 06.02.2009 constructors of complex vec/mat/smat from real ones 20.01.2009 optional _LA_count_check 20.01.2009 NRMat(const NRVec...) constructor with optional offset parameter 18.12.2008 cout.flush() for verbose iterative methods 17.12.2008 improvements in laerror for exception handling 26.11.2008 RELEASE 0.2 xx.11.2008 checked compilation with gcc-4.3.2 xx.08.2008 fixed wrong permutation symmetry in previously unused (and untested) fourindex class 16.04.2008 replaced the dasum() wrongly used for trace 14.03.2008 support for (formal) matrix resize(n,0) 11.03.2008 added cblas_idamax replacement for non-cblas 05.03.2008 fixed transposed bug in inverse() with non-cblas 26.02.2008 INITIAL RELEASE 0.1