Commit Graph

559 Commits

Author SHA1 Message Date
jiri 4500752146 lanczos: skeleton initial commit 2025-12-10 17:12:00 +01:00
jiri 62d9e18043 diagonalize3 for n smaller than dimension 2025-12-10 17:11:26 +01:00
jiri 6fe5dd8be6 FIXED a recently introduced bug in vec.h 2025-12-09 17:45:38 +01:00
jiri 1cb536421f davidson: added root targeting 2025-12-09 16:03:04 +01:00
jiri 3d284d544a diagonalize3 wrapper for dsteqr 2025-12-09 15:21:18 +01:00
jiri c70e5c5f18 davidson for complex hermitean 2025-12-05 18:14:55 +01:00
jiri 651f614c91 get_git_version bash 2025-12-02 13:16:52 +01:00
jiri b84b4571cb SMat row sums 2025-12-01 17:40:30 +01:00
jiri 3a176ddb13 support for Orca format in binary put() and get() 2025-11-28 14:20:05 +01:00
jiri 253a554e8e fourindex: added comment/enum 2025-11-27 14:56:22 +01:00
jiri 76d00b6b2b fourindex: by default ignore assignments to zero elements due to antisymmetry 2025-11-27 14:11:54 +01:00
jiri 831404d08d fourindex: adding set() for compatibility with templated use 2025-11-26 17:46:26 +01:00
jiri b556b06442 twoside_transform for complex and for non-symetric case 2025-11-26 16:57:21 +01:00
jiri 3da3efa57c tensor: improved diagnostics 2025-11-20 21:00:33 +01:00
jiri ad1c4ee968 tensor: linear_transform implemented 2025-11-20 18:17:34 +01:00
jiri d136c2314d tensor: index name preservation in tucker 2025-11-20 16:41:57 +01:00
jiri e867a7a8c9 tensor: generalized reinterpretation as matrix 2025-11-20 16:24:17 +01:00
jiri a342032b58 simplified (inverse)Tucker for non-iverting index order 2025-11-20 16:00:53 +01:00
jiri 54642a71cc increased storage for precomputed simplicial() 2025-11-20 15:28:17 +01:00
jiri 7ba44efaef added network sort up to size 8 2025-11-20 15:18:58 +01:00
jiri 37973a7161 tensor: added some timing 2025-11-19 16:19:45 +01:00
jiri e0f5485b94 t.cc example for profiling 2025-11-19 15:45:57 +01:00
jiri c67d07ace0 gitignore gmon.out 2025-11-19 15:45:29 +01:00
jiri ba91c144fb gitignore for profiling files 2025-11-19 15:27:09 +01:00
jiri c067029b1d tensor: bugfixes and hermiticity enforcement 2025-11-19 14:58:45 +01:00
jiri 78569ca701 tensor: permutation of indices inside a symmetry group 2025-11-18 18:09:04 +01:00
jiri 20a61e2fb9 tensor: support for complex (anti)hermitian tensors 2025-11-18 17:30:58 +01:00
jiri 417a7d1d1a tensor: add_permuted_contractions works 2025-11-18 15:11:18 +01:00
jiri 71c890c39b working on add_permuted_contractions 2025-11-16 14:56:51 +01:00
jiri ba5adcd5e6 rename conjugate_by to conjugated_by 2025-11-16 14:56:29 +01:00
jiri 5f74028ab6 improved index out of range diagnostics 2025-11-16 09:25:09 +01:00
jiri 898645ed94 improved out of range diagnostics 2025-11-15 20:57:57 +01:00
jiri 5505d39b99 tensor: working on add_permuted_contractions 2025-11-15 18:33:36 +01:00
jiri 6281449dbb identity() for permutationalgebra 2025-11-15 18:32:56 +01:00
jiri 4a4c9c7190 vector_from1 constructor from list 2025-11-15 18:32:29 +01:00
jiri c7a676e487 permutation: added conjugation and commutator for PA 2025-11-14 17:19:26 +01:00
jiri 3f7586378d working on add_permuted_contractions 2025-11-14 16:16:22 +01:00
jiri 89cc0c5b1e small fixes in permutation 2025-11-14 16:15:58 +01:00
jiri c7c21ee1a8 tensor: name treatment in apply_permutation_algebra 2025-11-13 17:57:26 +01:00
jiri 883b8565c0 added some operations to permutation.h 2025-11-13 17:05:57 +01:00
jiri d764589232 release 1.4 2025-11-12 15:33:14 +01:00
jiri d73c539e43 tensor: permute index group to a given index order 2025-11-12 15:28:32 +01:00
jiri ee3687ac36 tensor: use canonicalize_shape in flatten 2025-11-12 14:59:46 +01:00
jiri 641b632df1 tensor: special cases of ourter product with trivial tensor 2025-11-11 19:48:44 +01:00
jiri 98ef46ad47 tensor: innercontraction implemented 2025-11-11 17:37:28 +01:00
jiri 32242f18ed tensor: name-based gerge_indices 2025-11-10 23:29:55 +01:00
jiri 687474fed2 tensor: index names in merge_indices 2025-11-10 22:02:07 +01:00
jiri 6c2242a572 tensor: implemented merge_indices 2025-11-10 18:02:16 +01:00
jiri f17433ec51 comment in permutation.h 2025-11-10 17:01:32 +01:00
jiri 5980b3f74e permutation.h symmetrizer and antisymmetrizer 2025-11-10 14:55:48 +01:00