 jiri
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8e82597927
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bugfixes in fourindex
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2026-10-29 21:51:19 +01:00 |
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jiri
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22e3d2fb63
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bugfixes in tensor
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2026-10-29 21:51:03 +01:00 |
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jiri
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4fac0f0dda
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.gitignore update
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2026-10-29 21:28:18 +01:00 |
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jiri
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a808045360
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bugfixes in vecmat3 and quaternion
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2026-10-29 21:27:58 +01:00 |
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jiri
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e9fa634843
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bugfixes in vecmat3
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2026-10-28 23:06:23 +01:00 |
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jiri
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dc7f9bef93
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bugfixes in quaternion
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2026-10-28 23:06:08 +01:00 |
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jiri
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a95c7bfefe
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bugfixes in bitvector
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2026-10-28 23:05:50 +01:00 |
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jiri
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4bc7be4265
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bugfixes in contfrac and polynomial
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2026-10-28 22:18:58 +01:00 |
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jiri
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63b9e8c92e
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bugfixes in permutation
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2026-10-28 21:53:40 +01:00 |
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jiri
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420eeedd8e
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CLAUDE instructions
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2026-10-28 21:12:09 +01:00 |
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jiri
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9eb92f4efa
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fourindex bugfixes
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2026-10-28 21:11:36 +01:00 |
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jiri
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cbf054fd7a
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bugfixes in tensor
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2026-10-28 00:04:20 +01:00 |
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jiri
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79a0cf9247
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bugfixes in sparsemat and sparsesmat
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2026-10-27 23:18:40 +01:00 |
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jiri
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1868b1d261
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smat: reverted to former operator() just accessing the storage
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2026-10-27 22:59:10 +01:00 |
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jiri
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204bfc4871
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sparsemat bugfixes
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2026-10-27 21:24:20 +01:00 |
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jiri
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25d0d40bee
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bugfixes in smat and related, mainly for complex hermitian interpretation
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2026-10-27 20:36:24 +01:00 |
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jiri
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1d4b33b50c
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a formal fix of forbidden operator
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2026-10-27 19:15:37 +01:00 |
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jiri
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ad98173078
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bugfixes in mat.h mat.cc and related
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2026-10-27 19:14:30 +01:00 |
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jiri
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37f790c20a
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bugfixes in vec.h, vec.cc
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2026-10-27 16:32:53 +01:00 |
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jiri
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8b55c3d0c1
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bugfixes in nonclass, mainly complex-related
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2026-10-27 15:15:10 +01:00 |
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jiri
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66cb0bbdca
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optimize: instantization macro
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2026-10-27 10:29:18 +01:00 |
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jiri
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00aaa10846
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bugfix of complex calcinverse and calcsvdinverse in nonclass
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2026-10-26 22:52:50 +01:00 |
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jiri
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627d21dedc
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bugfixes in miscfunc - gamma, binom, zeta
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2026-10-26 22:22:44 +01:00 |
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jiri
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be8c44e6c6
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optimize: Trust region and P-RFO and Levenberg-Marquardt vibe-coded
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2026-10-26 16:51:42 +01:00 |
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jiri
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3ef603c184
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optimize: freezing parameters in a problem using a bitvector
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2026-10-26 16:31:36 +01:00 |
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jiri
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0900678e5c
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vec.h cosmetic fix
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2026-10-26 16:20:45 +01:00 |
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jiri
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b38bd343f4
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testoptimize testbed created
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2026-10-26 16:10:07 +01:00 |
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jiri
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9ff29754fd
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vec: subvector_from and _to
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2026-10-26 16:02:13 +01:00 |
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jiri
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2e6ce0c13e
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optimize: cobyla vibe-coded
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2026-10-26 15:29:48 +01:00 |
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jiri
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f7ef134fc5
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bugfixes in vec mat smat - mainly missing copyonwrite()s
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2026-10-26 15:11:45 +01:00 |
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jiri
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eccb3a68f8
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optimize: QNG and rotosolve vibe-coded
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2026-10-26 14:24:37 +01:00 |
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jiri
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01f635ea73
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diis.h CRLF -> LF
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2026-10-26 13:45:57 +01:00 |
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jiri
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5fa73c1e2e
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diis: fix memory leak and make reset()
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2026-10-26 13:45:20 +01:00 |
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jiri
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b47e61a061
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avoided mktemp in auxstorage
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2026-10-26 13:39:01 +01:00 |
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jiri
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868c0449b9
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optimize: SPSA and Adam optimizers, generalized call_on_me() in vec.h
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2026-10-26 13:27:01 +01:00 |
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jiri
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4c37ffdf12
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optimize: added Powell and Nelder-Mead method
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2026-10-26 12:52:04 +01:00 |
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jiri
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3b7be8bc43
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optimize: more gradient-based methods vibe-coded
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2026-10-26 12:39:09 +01:00 |
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jiri
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ae7a40bd77
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optimize: reorganization of hyperparameters and optevaluator and optstate
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2026-10-26 11:34:03 +01:00 |
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jiri
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4ad3405df9
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.gitignore update
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2026-10-25 05:21:12 +01:00 |
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jiri
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7fa2d9fe66
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fixed missing copyonwrite() in optimize.cc
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2026-10-24 04:39:23 +02:00 |
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jiri
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188fa1a434
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BFGS optimization implemented
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2026-10-23 16:38:03 +02:00 |
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jiri
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c4055403f6
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smat - implemented rank2 update
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2026-10-23 16:35:22 +02:00 |
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jiri
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338381e160
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fixed some conjugation issues in cblas replacement wrappers
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2026-10-23 16:34:08 +02:00 |
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jiri
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7b11eb78bd
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vec.cc complex gemv support conjugation flag
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2026-10-23 16:32:26 +02:00 |
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jiri
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6254f2026c
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optimizers - initial revision
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2026-10-23 14:46:12 +02:00 |
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jiri
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0b1f9545c7
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made compilable with gcc16
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2026-10-23 14:45:49 +02:00 |
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jiri
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2290c55ab8
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mat.h added missing typename
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2026-09-08 16:47:51 +02:00 |
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jiri
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837963193f
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adjoint matrix
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2026-09-05 18:15:39 +02:00 |
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jiri
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47913b40ce
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NRMat svdinverse()
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2026-09-05 09:47:01 +02:00 |
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jiri
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e5073a3141
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permutation: in-place inversion
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2026-07-31 20:50:36 +02:00 |
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jiri
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3bfa3007ce
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bugfix for compatibility with gcc16
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2026-06-01 15:45:36 +02:00 |
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jiri
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4bacfc02f9
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NRVec::iamax()
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2026-03-18 14:53:52 +01:00 |
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jiri
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fa59833e1e
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tensor: numpy file i/o
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2026-03-09 18:34:56 +01:00 |
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jiri
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302055db86
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tensor: subtensor1()
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2026-03-09 17:10:58 +01:00 |
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jiri
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9b5372fcae
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NRVec::reverse()
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2026-03-09 16:52:42 +01:00 |
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jiri
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fea32c3611
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cleanup debug prints
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2026-03-04 12:51:37 +01:00 |
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jiri
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69b08da2fd
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determinant(): added workaround for openblas dgesv incompatibiility
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2026-03-04 12:48:40 +01:00 |
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jiri
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061880fb9f
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improved diagnostics in clapack_dgesv replacement and bugfix in wrapper of dspsv
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2026-03-04 10:55:59 +01:00 |
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jiri
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dfa9369779
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some tests of matrix log
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2026-03-03 15:26:14 +01:00 |
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jiri
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1735b35909
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svd_solve optionally report nullity
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2026-02-11 18:03:21 +01:00 |
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jiri
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f8923b1a3f
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svd_solve implemented
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2026-02-11 16:56:12 +01:00 |
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jiri
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36983222e8
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improevd lanczos
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2026-02-10 15:18:56 +01:00 |
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jiri
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07b923379d
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improved lanczos
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2026-02-10 14:58:42 +01:00 |
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jiri
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6a5f778aa2
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added debug diagnostics to operator()
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2026-02-06 15:28:42 +01:00 |
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jiri
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abae7422fd
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fixed trivial typo
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2026-02-05 14:30:42 +01:00 |
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jiri
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1d0d13f3a9
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bitvector: more error diagnostics
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2026-02-05 14:29:45 +01:00 |
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jiri
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7441b44251
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explicit matrix reconstruction template added to davidson.h
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2026-02-04 17:39:13 +01:00 |
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jiri
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1407fb9d8e
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change in formatting of the error message
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2026-02-04 13:40:15 +01:00 |
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jiri
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1853d3f8d9
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conjgrad removed wrong output formattig
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2026-02-04 13:23:00 +01:00 |
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jiri
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18d581a943
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semisparsemat operator*(nrvec)
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2026-02-03 17:45:33 +01:00 |
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jiri
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22818a539c
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semisparsemat ostream output
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2026-02-03 17:21:04 +01:00 |
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jiri
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b1f1be8457
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SemiSparseMat introduced
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2026-02-03 15:46:39 +01:00 |
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jiri
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febc20965a
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added traits for bitvector class
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2026-01-29 18:12:04 +01:00 |
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jiri
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febb19d15f
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NRMat::row() generalized - backward compatibly
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2026-01-29 14:05:05 +01:00 |
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jiri
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0ab331d047
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tensor: announce subindex() in tensor.h
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2026-01-29 13:48:45 +01:00 |
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jiri
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7d4507d875
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tensor: fixed indexmatrix for rank 0 tensor
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2026-01-28 16:35:53 +01:00 |
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jiri
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f348a0609c
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bitvector: fixed forgotten copyonwrite() in fill()
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2026-01-28 16:08:15 +01:00 |
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jiri
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097677ef3f
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tensor: shares_index implemented
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2026-01-28 15:36:53 +01:00 |
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jiri
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375e690296
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formatting od rank 0 tensor output with endl
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2026-01-28 15:01:04 +01:00 |
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jiri
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1d53afd257
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tensor: indexmatrix() and zero index detection
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2026-01-27 17:41:47 +01:00 |
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jiri
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1580891639
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mat: rowset() and columnset()
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2026-01-27 17:29:50 +01:00 |
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jiri
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18d8fd8d9b
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tensor: a comment
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2026-01-14 14:28:28 +01:00 |
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jiri
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26ed939901
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tensor: bugfix in unwind_index and linear_transform of single group
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2025-12-15 20:32:01 +01:00 |
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jiri
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671b924c8c
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lanczos: little bug fix
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2025-12-15 14:36:16 +01:00 |
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jiri
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1965f4f653
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lanczos: first working version
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2025-12-12 15:54:32 +01:00 |
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jiri
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7e90168443
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davidson - comment
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2025-12-12 14:22:15 +01:00 |
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jiri
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4500752146
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lanczos: skeleton initial commit
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2025-12-10 17:12:00 +01:00 |
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jiri
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62d9e18043
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diagonalize3 for n smaller than dimension
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2025-12-10 17:11:26 +01:00 |
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jiri
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6fe5dd8be6
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FIXED a recently introduced bug in vec.h
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2025-12-09 17:45:38 +01:00 |
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jiri
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1cb536421f
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davidson: added root targeting
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2025-12-09 16:03:04 +01:00 |
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jiri
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3d284d544a
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diagonalize3 wrapper for dsteqr
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2025-12-09 15:21:18 +01:00 |
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jiri
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c70e5c5f18
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davidson for complex hermitean
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2025-12-05 18:14:55 +01:00 |
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jiri
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651f614c91
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get_git_version bash
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2025-12-02 13:16:52 +01:00 |
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jiri
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b84b4571cb
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SMat row sums
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2025-12-01 17:40:30 +01:00 |
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jiri
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3a176ddb13
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support for Orca format in binary put() and get()
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2025-11-28 14:20:05 +01:00 |
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jiri
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253a554e8e
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fourindex: added comment/enum
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2025-11-27 14:56:22 +01:00 |
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jiri
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76d00b6b2b
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fourindex: by default ignore assignments to zero elements due to antisymmetry
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2025-11-27 14:11:54 +01:00 |
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jiri
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831404d08d
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fourindex: adding set() for compatibility with templated use
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2025-11-26 17:46:26 +01:00 |
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jiri
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b556b06442
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twoside_transform for complex and for non-symetric case
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2025-11-26 16:57:21 +01:00 |
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jiri
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3da3efa57c
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tensor: improved diagnostics
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2025-11-20 21:00:33 +01:00 |
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