Commit Graph

  • 4bacfc02f9 NRVec::iamax() master jiri 2026-03-18 14:53:52 +01:00
  • fa59833e1e tensor: numpy file i/o jiri 2026-03-09 18:34:56 +01:00
  • 302055db86 tensor: subtensor1() jiri 2026-03-09 17:10:58 +01:00
  • 9b5372fcae NRVec::reverse() jiri 2026-03-09 16:52:42 +01:00
  • fea32c3611 cleanup debug prints jiri 2026-03-04 12:51:37 +01:00
  • 69b08da2fd determinant(): added workaround for openblas dgesv incompatibiility jiri 2026-03-04 12:48:40 +01:00
  • 061880fb9f improved diagnostics in clapack_dgesv replacement and bugfix in wrapper of dspsv jiri 2026-03-04 10:55:59 +01:00
  • dfa9369779 some tests of matrix log jiri 2026-03-03 15:26:14 +01:00
  • 1735b35909 svd_solve optionally report nullity jiri 2026-02-11 18:03:21 +01:00
  • f8923b1a3f svd_solve implemented jiri 2026-02-11 16:56:12 +01:00
  • 36983222e8 improevd lanczos jiri 2026-02-10 15:18:56 +01:00
  • 07b923379d improved lanczos jiri 2026-02-10 14:58:42 +01:00
  • 6a5f778aa2 added debug diagnostics to operator() jiri 2026-02-06 15:28:42 +01:00
  • abae7422fd fixed trivial typo jiri 2026-02-05 14:30:42 +01:00
  • 1d0d13f3a9 bitvector: more error diagnostics jiri 2026-02-05 14:29:45 +01:00
  • 7441b44251 explicit matrix reconstruction template added to davidson.h jiri 2026-02-04 17:39:13 +01:00
  • 1407fb9d8e change in formatting of the error message jiri 2026-02-04 13:40:15 +01:00
  • 1853d3f8d9 conjgrad removed wrong output formattig jiri 2026-02-04 13:23:00 +01:00
  • 18d581a943 semisparsemat operator*(nrvec) jiri 2026-02-03 17:45:33 +01:00
  • 22818a539c semisparsemat ostream output jiri 2026-02-03 17:21:04 +01:00
  • b1f1be8457 SemiSparseMat introduced jiri 2026-02-03 15:46:39 +01:00
  • febc20965a added traits for bitvector class jiri 2026-01-29 18:12:04 +01:00
  • febb19d15f NRMat::row() generalized - backward compatibly jiri 2026-01-29 14:05:05 +01:00
  • 0ab331d047 tensor: announce subindex() in tensor.h jiri 2026-01-29 13:48:45 +01:00
  • 7d4507d875 tensor: fixed indexmatrix for rank 0 tensor jiri 2026-01-28 16:35:53 +01:00
  • f348a0609c bitvector: fixed forgotten copyonwrite() in fill() jiri 2026-01-28 16:08:15 +01:00
  • 097677ef3f tensor: shares_index implemented jiri 2026-01-28 15:36:53 +01:00
  • 375e690296 formatting od rank 0 tensor output with endl jiri 2026-01-28 15:01:04 +01:00
  • 1d53afd257 tensor: indexmatrix() and zero index detection jiri 2026-01-27 17:41:47 +01:00
  • 1580891639 mat: rowset() and columnset() jiri 2026-01-27 17:29:50 +01:00
  • 18d8fd8d9b tensor: a comment jiri 2026-01-14 14:28:28 +01:00
  • 26ed939901 tensor: bugfix in unwind_index and linear_transform of single group jiri 2025-12-15 20:32:01 +01:00
  • 671b924c8c lanczos: little bug fix jiri 2025-12-15 14:36:16 +01:00
  • 1965f4f653 lanczos: first working version jiri 2025-12-12 15:54:32 +01:00
  • 7e90168443 davidson - comment jiri 2025-12-12 14:22:15 +01:00
  • 4500752146 lanczos: skeleton initial commit jiri 2025-12-10 17:12:00 +01:00
  • 62d9e18043 diagonalize3 for n smaller than dimension jiri 2025-12-10 17:11:26 +01:00
  • 6fe5dd8be6 FIXED a recently introduced bug in vec.h jiri 2025-12-09 17:45:38 +01:00
  • 1cb536421f davidson: added root targeting jiri 2025-12-09 16:03:04 +01:00
  • 3d284d544a diagonalize3 wrapper for dsteqr jiri 2025-12-09 15:21:18 +01:00
  • c70e5c5f18 davidson for complex hermitean jiri 2025-12-05 18:14:55 +01:00
  • 651f614c91 get_git_version bash jiri 2025-12-02 13:16:52 +01:00
  • b84b4571cb SMat row sums jiri 2025-12-01 17:40:30 +01:00
  • 3a176ddb13 support for Orca format in binary put() and get() jiri 2025-11-28 14:20:05 +01:00
  • 253a554e8e fourindex: added comment/enum jiri 2025-11-27 14:56:22 +01:00
  • 76d00b6b2b fourindex: by default ignore assignments to zero elements due to antisymmetry jiri 2025-11-27 14:11:54 +01:00
  • 831404d08d fourindex: adding set() for compatibility with templated use jiri 2025-11-26 17:46:26 +01:00
  • b556b06442 twoside_transform for complex and for non-symetric case jiri 2025-11-26 16:57:21 +01:00
  • 3da3efa57c tensor: improved diagnostics jiri 2025-11-20 21:00:33 +01:00
  • ad1c4ee968 tensor: linear_transform implemented jiri 2025-11-20 18:17:34 +01:00
  • d136c2314d tensor: index name preservation in tucker jiri 2025-11-20 16:41:57 +01:00
  • e867a7a8c9 tensor: generalized reinterpretation as matrix jiri 2025-11-20 16:24:17 +01:00
  • a342032b58 simplified (inverse)Tucker for non-iverting index order jiri 2025-11-20 16:00:53 +01:00
  • 54642a71cc increased storage for precomputed simplicial() jiri 2025-11-20 15:28:17 +01:00
  • 7ba44efaef added network sort up to size 8 jiri 2025-11-20 15:18:58 +01:00
  • 37973a7161 tensor: added some timing jiri 2025-11-19 16:19:45 +01:00
  • e0f5485b94 t.cc example for profiling jiri 2025-11-19 15:45:57 +01:00
  • c67d07ace0 gitignore gmon.out jiri 2025-11-19 15:45:29 +01:00
  • ba91c144fb gitignore for profiling files jiri 2025-11-19 15:27:09 +01:00
  • c067029b1d tensor: bugfixes and hermiticity enforcement jiri 2025-11-19 14:58:45 +01:00
  • 78569ca701 tensor: permutation of indices inside a symmetry group jiri 2025-11-18 18:09:04 +01:00
  • 20a61e2fb9 tensor: support for complex (anti)hermitian tensors jiri 2025-11-18 17:30:58 +01:00
  • 417a7d1d1a tensor: add_permuted_contractions works jiri 2025-11-18 15:11:18 +01:00
  • 71c890c39b working on add_permuted_contractions jiri 2025-11-16 14:56:51 +01:00
  • ba5adcd5e6 rename conjugate_by to conjugated_by jiri 2025-11-16 14:56:29 +01:00
  • 5f74028ab6 improved index out of range diagnostics jiri 2025-11-16 09:25:09 +01:00
  • 898645ed94 improved out of range diagnostics jiri 2025-11-15 20:57:57 +01:00
  • 5505d39b99 tensor: working on add_permuted_contractions jiri 2025-11-15 18:33:36 +01:00
  • 6281449dbb identity() for permutationalgebra jiri 2025-11-15 18:32:56 +01:00
  • 4a4c9c7190 vector_from1 constructor from list jiri 2025-11-15 18:32:29 +01:00
  • c7a676e487 permutation: added conjugation and commutator for PA jiri 2025-11-14 17:19:26 +01:00
  • 3f7586378d working on add_permuted_contractions jiri 2025-11-14 16:16:22 +01:00
  • 89cc0c5b1e small fixes in permutation jiri 2025-11-14 16:15:58 +01:00
  • c7c21ee1a8 tensor: name treatment in apply_permutation_algebra jiri 2025-11-13 17:57:26 +01:00
  • 883b8565c0 added some operations to permutation.h jiri 2025-11-13 17:05:57 +01:00
  • d764589232 release 1.4 jiri 2025-11-12 15:33:14 +01:00
  • d73c539e43 tensor: permute index group to a given index order jiri 2025-11-12 15:28:32 +01:00
  • ee3687ac36 tensor: use canonicalize_shape in flatten jiri 2025-11-12 14:59:46 +01:00
  • 641b632df1 tensor: special cases of ourter product with trivial tensor jiri 2025-11-11 19:48:44 +01:00
  • 98ef46ad47 tensor: innercontraction implemented jiri 2025-11-11 17:37:28 +01:00
  • 32242f18ed tensor: name-based gerge_indices jiri 2025-11-10 23:29:55 +01:00
  • 687474fed2 tensor: index names in merge_indices jiri 2025-11-10 22:02:07 +01:00
  • 6c2242a572 tensor: implemented merge_indices jiri 2025-11-10 18:02:16 +01:00
  • f17433ec51 comment in permutation.h jiri 2025-11-10 17:01:32 +01:00
  • 5980b3f74e permutation.h symmetrizer and antisymmetrizer jiri 2025-11-10 14:55:48 +01:00
  • 7ef2d1b73d tensor: tested full contractions jiri 2025-11-06 16:02:09 +01:00
  • b24cd24747 tensor: scalar as rank==0 special case jiri 2025-11-06 15:45:12 +01:00
  • b3c7d21268 tensor: addgroupcontractions jiri 2025-11-06 15:07:13 +01:00
  • 5e4c4dddea tensor: implemented index names jiri 2025-11-05 16:09:29 +01:00
  • 7941b7a7e2 started implementation of tensor index names jiri 2025-11-04 17:00:11 +01:00
  • 8ee8cb16e8 more tests of tensor operator() jiri 2025-10-30 15:43:38 +01:00
  • 4f8293dbf0 tensor lhs() signedpointer debug diagnostics jiri 2025-10-30 15:25:06 +01:00
  • f8b0cfa692 fourindex-tensor conversions tested jiri 2025-10-30 14:38:07 +01:00
  • f2d392c2a7 some more fourindex-tensor conversions jiri 2025-10-24 15:21:51 +02:00
  • f1060245a0 tensor-fourindex conversions for some more symemtries jiri 2025-10-24 14:17:12 +02:00
  • 874c2d5f83 tensor-fourindex_dense conversion for nosymmetry jiri 2025-10-24 11:24:12 +02:00
  • 91d8f4cc46 working on fourindex conversions in tensor class jiri 2025-10-23 18:09:21 +02:00
  • 346ce5bc3a small improvements in tensor/tucker jiri 2025-10-23 17:29:09 +02:00
  • 4bd2761cc5 tensor: optional distinguishing of covariant and contravariant indices for contractions jiri 2025-10-23 16:39:21 +02:00
  • 3baced9adb const version of loopover and grouploopoevr in tensor class jiri 2025-10-23 16:15:42 +02:00