Commit Graph
100 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
jiri 7ef2d1b73d tensor: tested full contractions 2025-11-06 16:02:09 +01:00
jiri b24cd24747 tensor: scalar as rank==0 special case 2025-11-06 15:45:12 +01:00
jiri b3c7d21268 tensor: addgroupcontractions 2025-11-06 15:07:13 +01:00
jiri 5e4c4dddea tensor: implemented index names 2025-11-05 16:09:29 +01:00
jiri 7941b7a7e2 started implementation of tensor index names 2025-11-04 17:00:11 +01:00
jiri 8ee8cb16e8 more tests of tensor operator() 2025-10-30 15:43:38 +01:00
jiri 4f8293dbf0 tensor lhs() signedpointer debug diagnostics 2025-10-30 15:25:06 +01:00
jiri f8b0cfa692 fourindex-tensor conversions tested 2025-10-30 14:38:07 +01:00
jiri f2d392c2a7 some more fourindex-tensor conversions 2025-10-24 15:21:51 +02:00
jiri f1060245a0 tensor-fourindex conversions for some more symemtries 2025-10-24 14:17:12 +02:00
jiri 874c2d5f83 tensor-fourindex_dense conversion for nosymmetry 2025-10-24 11:24:12 +02:00
jiri 91d8f4cc46 working on fourindex conversions in tensor class 2025-10-23 18:09:21 +02:00
jiri 346ce5bc3a small improvements in tensor/tucker 2025-10-23 17:29:09 +02:00
jiri 4bd2761cc5 tensor: optional distinguishing of covariant and contravariant indices for contractions 2025-10-23 16:39:21 +02:00
jiri 3baced9adb const version of loopover and grouploopoevr in tensor class 2025-10-23 16:15:42 +02:00
jiri cd09d93c27 Tucked tested on compressed tensors, flattening implemented 2025-10-23 15:29:48 +02:00
jiri a3ace7c757 removed test prints 2025-10-22 17:12:21 +02:00
jiri d46c2d7235 small improvements in Tucker 2025-10-22 17:08:41 +02:00
jiri 12cf5b76a5 bugfix unwind_index; Tucker works 2025-10-22 16:50:02 +02:00
jiri ba58060c2d initial implementation of Tucker 2025-10-21 17:40:48 +02:00
jiri 6a3595f03e support for compact SVD 2025-10-21 17:04:59 +02:00
jiri 72b8ce30e2 bugfix in cublas diagmultr 2025-10-20 17:27:43 +02:00
jiri 521d8a192a permutation.h 2025-10-20 14:35:51 +02:00
jiri 2cd5608e30 nested template function inside templated class in permutation.h 2025-10-17 16:40:15 +02:00
jiri cbb6f0116c apply_permutation_algebra tested 2025-10-17 16:04:59 +02:00
jiri 08cdf7c971 apply_permutation_algebra for tensors from product rhs 2025-10-17 15:07:43 +02:00
jiri 1dd3905d14 trivial subvector of full size return *this 2025-10-17 14:07:47 +02:00
jiri 9ef9ff6630 fourindex: permuted iterator without scaling with unique indices (qiterator) 2025-10-14 13:57:52 +02:00
jiri b24e680dc7 version.h moved to LA_version.h to avoid interference 2025-10-13 13:47:06 +02:00
jiri 92f7815eef realpart and imagpart for Vec and SMat 2025-08-04 17:09:29 +02:00
jiri 4fdb1b3ab7 note 2025-07-02 17:55:53 +02:00
jiri 931ff00cdc Vec3 and Mat3 clear() added to their traits 2025-05-22 14:47:19 +02:00
jiri 78c0e4edc5 laerror do nto list files by default 2025-05-05 15:16:56 +02:00
jiri 8f037f7ccf NRSMat sum() 2025-03-04 16:46:59 +01:00
jiri ad1bee99a5 printsorted() implementation 2025-03-04 16:06:16 +01:00
jiri ecdd2fefa5 sum of all matrix elements 2025-01-31 16:51:49 +01:00
jiri 0c998b0b52 file permissions 644 2025-01-31 16:35:50 +01:00
jiri 9bb4fc883b fixed C-fortran index shift in cblas_idamax etc. 2025-01-22 15:57:30 +01:00
jiri 4cf7dbb8c7 class bitmatrix implemented as derived from bitvector 2024-09-09 17:12:04 +02:00
jiri 7a0b49c2b8 working on tensor 2024-05-17 17:16:26 +02:00
jiri 052c30fd9d working on tensor - outer product 2024-05-17 16:27:10 +02:00
jiri ea2b494abb NRVec: constructor with GPU location option, otimes2vec 2024-05-17 16:17:43 +02:00
jiri 0b91e88dca tensor: contractions over severeal indices implemented 2024-05-16 18:23:30 +02:00
jiri 883d201e67 tensor: split and merge index groups 2024-05-06 18:30:01 +02:00
jiri 161aa5b1cd fixed missing copyonrite() in tensor.cc 2024-05-03 17:03:18 +02:00
jiri 3ba6d03eee implemented complex conjugation method where it was not available yet 2024-05-03 16:56:21 +02:00
jiri 518c75fb20 class tensor - apply permutation algebra 2024-05-03 13:57:11 +02:00
jiri 3d8386e30a tensor class: addcontraction 2024-04-30 16:38:16 +02:00
jiri 27cc7854f5 tensor class -contraction 2024-04-25 18:09:05 +02:00
jiri 5c6cb43c61 tensor class unwind_index 2024-04-25 16:38:35 +02:00