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