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• 630b5b01fd Fix doc.rs rust Anthony Scemama 2025-01-10 15:35:06 +01:00
• 516b70e266 Finalized Rust package for version 2.5.1 Anthony Scemama 2025-01-10 15:22:46 +01:00
• 788429d063 Unlocked tests Anthony Scemama 2025-01-10 14:59:27 +01:00
• b5fe333ea9 Merge branch 'master' into rust Anthony Scemama 2025-01-10 14:45:07 +01:00
• cc7f5eea53 Deploying to gh-pages from @ TREX-CoE/trexio@192e415a8f 🚀 gh-pages scemama 2025-01-09 14:53:48 +00:00
• 192e415a8f Merge branch 'debug_flags' master Anthony Scemama 2025-01-09 15:51:58 +01:00
• 2b7498016a Fixing CI fo GH pages (emacs) debug_flags Anthony Scemama 2025-01-09 15:51:03 +01:00
• 173fc3b6f1
  Merge pull request #169 from TREX-CoE/debug_flags Anthony Scemama 2025-01-09 11:14:03 +01:00
• ff6e556030 Update TREXIO exit codes decoding function Anthony Scemama 2025-01-08 15:19:43 +01:00
• a889bb846e TREXIO exit codes decoding function Anthony Scemama 2025-01-08 15:14:24 +01:00
• fd1e23ad3d +2 -> +1 Anthony Scemama 2025-01-08 15:01:56 +01:00
• 3321cb3ce6
  Merge pull request #174 from sheepforce/haskell-readme Evgeny Posenitskiy 2025-01-06 15:53:10 +01:00
• 43eb5f1944 add Haskell bindings section to README Phillip Seeber 2025-01-06 15:29:46 +01:00
• fb4e23481d Implement a check to prevent data corruption for sparse I/O q-posev 2025-01-03 20:57:51 +01:00
• b62ddcba12 Remove useless n_chunks q-posev 2025-01-03 20:32:59 +01:00
• 155d69571a Remove TODO - the error handling is manual q-posev 2025-01-03 10:00:59 +01:00
• 22be7fa615 Silence prints in tests q-posev 2025-01-03 09:53:46 +01:00
• a7cf0553cc Install valgrind for the CI q-posev 2025-01-02 23:33:05 +01:00
• 68d6780d76 Fix CI q-posev 2025-01-02 23:24:34 +01:00
• 0533cc67c0 Fix CI q-posev 2025-01-02 23:17:34 +01:00
• a9cdc2773d Fix CI q-posev 2025-01-02 23:14:21 +01:00
• 1513eecaab Refactored CI: first do valgrind and then debug configure q-posev 2025-01-02 23:07:46 +01:00
• d804b14678 No need for -g in FCFLAGS q-posev 2025-01-02 23:03:58 +01:00
• 0fd9779a1e Add hardcore valgring checking q-posev 2025-01-02 23:03:22 +01:00
• 886561a847
  Merge branch 'master' into debug_flags Evgeny Posenitskiy 2025-01-02 22:19:20 +01:00
• c0723f2c45 Deploying to gh-pages from @ TREX-CoE/trexio@ccb9bf8587 🚀 q-posev 2025-01-02 21:15:31 +00:00
• ccb9bf8587
  Merge pull request #168 from TREX-CoE/det-checks Evgeny Posenitskiy 2025-01-02 22:14:37 +01:00
• 4f1d44b920 Clear debug prints q-posev 2025-01-02 22:10:21 +01:00
• 4d78926015
  Rollback parallel tests Evgeny Posenitskiy 2025-01-02 22:06:43 +01:00
• 91585a6811 Fix Python tests: align with the C ones q-posev 2025-01-02 21:29:36 +01:00
• 12cc177b6d Merge branch 'master' into rust Anthony Scemama 2024-12-30 03:21:33 +01:00
• deb0e65fa5 Merge branch 'master' into debug_flags Anthony Scemama 2024-12-30 03:21:20 +01:00
• 156f09ff8a Merge branch 'master' of github.com:TREX-CoE/trexio Anthony Scemama 2024-12-30 03:21:09 +01:00
• 8cbc71ecb2 Fixed previous commit Anthony Scemama 2024-12-30 03:19:34 +01:00
• b37ab8f4c3 Deploying to gh-pages from @ TREX-CoE/trexio@0ba81ac715 🚀 scemama 2024-12-30 02:03:44 +00:00
• 0ba81ac715
  Merge pull request #172 from TREX-CoE/madelung Anthony Scemama 2024-12-30 03:02:49 +01:00
• 3755baf13e Deactivate test to enable old trexio Anthony Scemama 2024-12-30 03:01:44 +01:00
• 8bb2c1e179 Improved text backend Anthony Scemama 2024-12-30 02:54:24 +01:00
• c502a6166d Merge branch 'master' into debug_flags Anthony Scemama 2024-12-30 02:40:37 +01:00
• 8156a738fb Merge branch 'master' into rust Anthony Scemama 2024-12-30 00:12:17 +01:00
• 35795a9c35 Update determinant test such that last chunk is smaller (100 dets in 7 chunks) Anthony Scemama 2024-12-30 00:00:05 +01:00
• b529ee5d2b Merge branch 'master' into rust Anthony Scemama 2024-12-30 00:00:17 +01:00
• 1151587bbe Update determinant test such that last chunk is smaller (100 dets in 7 chunks) Anthony Scemama 2024-12-30 00:00:05 +01:00
• b303609e39 Fixing tests Anthony Scemama 2024-12-29 23:40:32 +01:00
• 2cea87a123 Adapting determinants Anthony Scemama 2024-12-29 23:28:33 +01:00
• 52eae38230 Removing need to compile C library Anthony Scemama 2024-12-29 22:27:31 +01:00
• d2c5dc7fa1 Merge branch 'master' into debug_flags Anthony Scemama 2024-12-12 09:51:05 +01:00
• 5a657b4035 Merge branch 'master' into madelung Anthony Scemama 2024-12-12 09:50:34 +01:00
• 8e614528de Deploying to gh-pages from @ TREX-CoE/trexio@df0e3a8e1c 🚀 q-posev 2024-12-11 15:16:42 +00:00
• df0e3a8e1c
  add nix build instructions and README section (#173) Phillip Seeber 2024-12-11 16:15:12 +01:00
• 9e8b2e92f3 Add Madelung Anthony Scemama 2024-12-07 11:41:33 +01:00
• 751b3c9d79 Fixed valgrind issue with trim Anthony Scemama 2024-12-06 11:20:26 +01:00
• c7d5d4255b Fixed valgrind test_f.f90 Anthony Scemama 2024-12-06 11:09:55 +01:00
• cd369bd187 Fix previous commit Anthony Scemama 2024-12-05 17:32:24 +01:00
• 72619db8c4 Removed strnlen Anthony Scemama 2024-12-05 14:09:46 +01:00
• a5d39acc92 Replaced some strnlen by memcpy Anthony Scemama 2024-12-05 14:00:13 +01:00
• 770b136c59 Revert "Fixed strncpy" Anthony Scemama 2024-12-05 13:29:23 +01:00
• 363851314b Fixed strncpy Anthony Scemama 2024-12-05 13:23:59 +01:00
• 66bb1e9c21 Fixed bug for arrays of strings in text backend Anthony Scemama 2024-12-05 13:10:00 +01:00
• e5a30615a6 Merge branch 'master' into debug_flags Anthony Scemama 2024-12-04 17:12:35 +01:00
• 3d76eab5dd
  Add codes supporting TREXIO (#171) Evgeny Posenitskiy 2024-12-04 16:48:29 +01:00
• a828b01eca Deploying to gh-pages from @ TREX-CoE/trexio@a7c92b6903 🚀 scemama 2024-11-21 08:47:39 +00:00
• a7c92b6903 Forgot offset in example Anthony Scemama 2024-11-21 09:46:36 +01:00
• de08ff9d58 Deploying to gh-pages from @ TREX-CoE/trexio@0a6a537f97 🚀 scemama 2024-11-20 14:29:40 +00:00
• 0a6a537f97 Merge branch 'master' of github.com:TREX-CoE/trexio Anthony Scemama 2024-11-20 15:28:34 +01:00
• 4d3d4c4607 Added download link of tar.gz in documentation Anthony Scemama 2024-11-20 15:27:38 +01:00
• 1a07e6527f Added download link of tar.gz in documentation Anthony Scemama 2024-11-20 15:27:38 +01:00
• 8d534d8769 Fixed unused parameters in hdf5 Anthony Scemama 2024-11-12 19:46:35 +01:00
• 38a4b60906 Added missing prototypes in the text backend Anthony Scemama 2024-11-12 19:26:28 +01:00
• fad2df80b0 Added sanitizer flags for fortran Anthony Scemama 2024-11-12 15:21:32 +01:00
• d9e56c5578 Merge branch 'det-checks' into debug_flags Anthony Scemama 2024-11-12 15:20:41 +01:00
• 2c7d8eab7f Fixed bug in test_f.f90 Anthony Scemama 2024-11-12 15:19:53 +01:00
• 4bd147415c Merge branch 'det-checks' into debug_flags Anthony Scemama 2024-11-12 12:00:40 +01:00
• e8ac919678 Removed O2 from default fortran configuration Anthony Scemama 2024-11-12 12:00:19 +01:00
• c9029293d2 Fix a typo in the comment q-posev 2024-11-11 20:03:40 +01:00
• debee617d0 No warnings in trexio.c Anthony Scemama 2024-11-11 18:22:25 +01:00
• d14b98b8a5 More checks Anthony Scemama 2024-11-11 18:09:33 +01:00
• cda0ad70a6 Removed many warnings + added more checks Anthony Scemama 2024-11-11 17:26:51 +01:00
• ff8e44d386 Add -g to compiler flags Anthony Scemama 2024-11-11 03:26:54 +01:00
• 9204ecb891 Retry tests Anthony Scemama 2024-11-11 03:20:46 +01:00
• 9459377a3f Changes after review Anthony Scemama 2024-11-11 02:54:28 +01:00
• 8d8e9afcd3 Deploying to gh-pages from @ TREX-CoE/trexio@59a836bba2 🚀 q-posev 2024-11-10 20:58:46 +00:00
• 59a836bba2
  Try pinned SWIG from PyPI Evgeny Posenitskiy 2024-11-10 21:57:54 +01:00
• 648fb084fc Deploying to gh-pages from @ TREX-CoE/trexio@f5ed4afb66 🚀 q-posev 2024-11-10 20:47:47 +00:00
• f5ed4afb66
  SWIG 4.3 failed Python tests => downgrade Evgeny Posenitskiy 2024-11-10 21:46:56 +01:00
• 4d8e9667d3 Deploying to gh-pages from @ TREX-CoE/trexio@04453266a6 🚀 q-posev 2024-11-10 20:35:24 +00:00
• 04453266a6
  Fix Python version in the CI testing Evgeny Posenitskiy 2024-11-10 21:34:27 +01:00
• 08674345a8 Fix text interface for determinants Anthony Scemama 2024-11-10 19:20:09 +01:00
• 0e95645fa5 Deploying to gh-pages from @ TREX-CoE/trexio@0a153491c9 🚀 scemama 2024-11-10 12:04:40 +00:00
• 0a153491c9 Fixed rust makefile Anthony Scemama 2024-11-10 13:03:53 +01:00
• 57f3db46bf Deploying to gh-pages from @ TREX-CoE/trexio@44b81fbc8f 🚀 scemama 2024-10-17 17:27:26 +00:00
• 44b81fbc8f
  Merge pull request #166 from TREX-CoE/solid-harmonics Anthony Scemama 2024-10-17 19:26:37 +02:00
• 9ea712a434 Fix ocaml version Anthony Scemama 2024-10-16 17:00:19 +02:00
• da62668b1f Introduced real solid harmonics in the documentation Anthony Scemama 2024-10-16 16:54:56 +02:00
• b68fe5a18a Merge branch 'master' of github.com:TREX-CoE/trexio Anthony Scemama 2024-10-16 16:17:17 +02:00
• d88358fb7b
  [skip ci] Bump the patch version following 2.5.0 release q-posev 2024-09-11 10:20:56 +02:00
• f01417cd06 Deploying to gh-pages from @ TREX-CoE/trexio@908842122e 🚀 q-posev 2024-09-11 07:48:22 +00:00
• 908842122e
  [wheel build] Release 2.5.0 + updated README q-posev 2024-09-11 09:47:14 +02:00
• d0044bf7a0 [skip ci] Enable back PyPI publishing for the upcoming release v2.5.0 q-posev 2024-08-18 11:19:10 +02:00
• 5c5441e98b Deploying to gh-pages from @ TREX-CoE/trexio@8100c6e3d4 🚀 q-posev 2024-08-18 08:36:40 +00:00