| d1bc43f | Maximilian Scheurer | 04 October 2023, 12:35:21 UTC | Bump version: 0.3.1 → 0.3.2 | 04 October 2023, 12:35:21 UTC |
| cadacc1 | Maximilian Scheurer | 04 October 2023, 12:34:26 UTC | adapt to new build sys | 04 October 2023, 12:34:26 UTC |
| 37d49bb | Roberto Di Remigio Eikås | 02 June 2023, 05:50:26 UTC | Remove superbuild (#43) * Remove local copy of Eigen * Remove autodownload CMake script for pybind11 * Clean up CMake local modules folder * CXX flags handling, remove some more CMake modules * Remove superbuild pattern * Send RUNTIME to BINDIR * Fix installation of targets * Forgot to move the templated config file * Fix a couple of warnings * Add target_link_options `-undefined dynamic_lookup` on mac * Workflows * Drop numba (doesn't seem to be used anywhere) * SIlly commit * Run on all branches * Fix environment file * Fix environment file * Fix versioning of polarizationsolver * Print cmake version * Remove use of OBJECT library * Build shared * Fix RPATH handling, pybind11 options * Shared lib only, use OBJECT library * Fight with clang-cl * uff * Give up on windows for a moment * Update ci.yml * retry windows * retry windows * retry windows * only python interface * possible fix * Tuck sources under src * Add marker for tests that need polarizationsolver * Try once more * test test * test test * test on lower and upper Python bounds Saves some CI minutes * Do not install headers * add markers in conftest.py * site-packages on windows is not versioned! * remove non-existent CMake flag * use install path * use install path * use install path * use install path * use install path * use install path * use install path * enable caching of conda packages * test run! * no mamba * dammit * Suggestions from Lori | 02 June 2023, 05:50:26 UTC |
| dc1f002 | Maximilian Scheurer | 05 May 2021, 15:59:37 UTC | add FMM paper to README | 05 May 2021, 15:59:37 UTC |
| cdcbf9d | Maximilian Scheurer | 15 March 2021, 08:42:30 UTC | Update README.md | 15 March 2021, 08:42:30 UTC |
| 8399ad0 | Maximilian Scheurer | 13 March 2021, 17:25:00 UTC | Merge pull request #39 from maxscheurer/build_again Build system fixes again | 13 March 2021, 17:25:00 UTC |
| 52924b6 | Maximilian Scheurer | 13 March 2021, 14:32:33 UTC | Update README.md | 13 March 2021, 14:32:33 UTC |
| 2e53e5f | Maximilian Scheurer | 13 March 2021, 10:35:06 UTC | fix history | 13 March 2021, 14:29:42 UTC |
| 6d710c7 | Maximilian Scheurer | 13 March 2021, 10:27:46 UTC | disable openmp for setup.py, add metadata variable for omp | 13 March 2021, 10:31:28 UTC |
| c5d92e4 | Maximilian Scheurer | 25 February 2021, 11:10:29 UTC | Merge pull request #37 from maxscheurer/maintenance Maintenance and Thole damping for tree code | 25 February 2021, 11:10:29 UTC |
| 9d7e862 | Maximilian Scheurer | 25 February 2021, 10:07:31 UTC | use skbuild | 25 February 2021, 10:52:46 UTC |
| 6fa6d62 | Maximilian Scheurer | 03 February 2021, 20:12:10 UTC | fix stupid bug | 03 February 2021, 20:12:10 UTC |
| 05bbb28 | Maximilian Scheurer | 03 February 2021, 12:38:36 UTC | fix setup | 03 February 2021, 13:06:15 UTC |
| cad7411 | Maximilian Scheurer | 03 February 2021, 12:03:29 UTC | restructure cmake, adapt tests | 03 February 2021, 12:03:29 UTC |
| 2b9f352 | Maximilian Scheurer | 03 February 2021, 11:08:55 UTC | bump pybind11 | 03 February 2021, 11:08:55 UTC |
| 2d25269 | Maximilian Scheurer | 03 February 2021, 11:04:06 UTC | damping works for tree code, cleanup, nuke old code | 03 February 2021, 11:04:06 UTC |
| 555fac9 | Maximilian Scheurer | 28 January 2021, 16:39:03 UTC | CI updates (#36) remove bh | 28 January 2021, 16:39:03 UTC |
| b70349a | Maximilian Scheurer | 03 December 2020, 13:56:26 UTC | Create publish_binary.yml | 03 December 2020, 13:56:26 UTC |
| 93560be | Maximilian Scheurer | 24 November 2020, 17:55:13 UTC | Merge pull request #32 from maxscheurer/mm_grad MM part for nuclear gradients | 24 November 2020, 17:55:13 UTC |
| 1950930 | Maximilian Scheurer | 24 November 2020, 17:25:56 UTC | expose via state | 24 November 2020, 17:25:56 UTC |
| 3ffdd69 | Maximilian Scheurer | 19 November 2020, 13:42:34 UTC | add mm code for gradients | 20 November 2020, 15:56:31 UTC |
| 3f5bbe3 | Maximilian Scheurer | 20 November 2020, 15:56:01 UTC | Merge pull request #34 from maxscheurer/maxscheurer-patch-1 Update publish.yml | 20 November 2020, 15:56:01 UTC |
| 75c23e2 | Maximilian Scheurer | 20 November 2020, 15:44:23 UTC | require tag for upload | 20 November 2020, 15:44:23 UTC |
| 2324255 | Maximilian Scheurer | 20 November 2020, 15:35:38 UTC | pypi | 20 November 2020, 15:35:38 UTC |
| 64d5a8a | Maximilian Scheurer | 20 November 2020, 15:21:30 UTC | Update publish.yml | 20 November 2020, 15:21:30 UTC |
| 9d4ad5d | Maximilian Scheurer | 20 November 2020, 15:13:11 UTC | Merge pull request #33 from maxscheurer/gh_actions Use GHA | 20 November 2020, 15:13:11 UTC |
| 9490a2b | Maximilian Scheurer | 20 November 2020, 15:00:14 UTC | publish testpypi | 20 November 2020, 15:00:14 UTC |
| 1ccdfa2 | Maximilian Scheurer | 20 November 2020, 14:53:52 UTC | use CI badge | 20 November 2020, 14:55:18 UTC |
| c2ec6cf | Maximilian Scheurer | 20 November 2020, 14:48:08 UTC | publish pypi | 20 November 2020, 14:48:08 UTC |
| f45f64b | Maximilian Scheurer | 20 November 2020, 12:01:24 UTC | setuptools build and test | 20 November 2020, 12:01:24 UTC |
| 190d9ff | Maximilian Scheurer | 20 November 2020, 11:31:21 UTC | in source build | 20 November 2020, 11:49:59 UTC |
| 521a4be | Maximilian Scheurer | 20 November 2020, 10:52:38 UTC | try to run tests | 20 November 2020, 10:52:38 UTC |
| 92d79be | Maximilian Scheurer | 20 November 2020, 10:36:47 UTC | run in correct dir | 20 November 2020, 10:36:47 UTC |
| 9815307 | Maximilian Scheurer | 20 November 2020, 10:32:43 UTC | enable py interface in ci | 20 November 2020, 10:32:46 UTC |
| fa985cb | Maximilian Scheurer | 20 November 2020, 10:30:38 UTC | add py deps and run test | 20 November 2020, 10:30:38 UTC |
| 758e53b | Maximilian Scheurer | 20 November 2020, 10:26:21 UTC | restrict ci | 20 November 2020, 10:26:21 UTC |
| fc48f66 | Maximilian Scheurer | 20 November 2020, 10:20:28 UTC | specify compiler for macos | 20 November 2020, 10:20:28 UTC |
| d1dde3b | Maximilian Scheurer | 20 November 2020, 10:15:48 UTC | install gcc on macos | 20 November 2020, 10:15:48 UTC |
| 8ab7493 | Maximilian Scheurer | 20 November 2020, 10:11:23 UTC | remove travis | 20 November 2020, 10:11:23 UTC |
| 0e26eb2 | Maximilian Scheurer | 20 November 2020, 10:10:14 UTC | Create cmake.yml | 20 November 2020, 10:10:14 UTC |
| 1c0a26d | Maximilian Scheurer | 06 November 2020, 18:26:04 UTC | Merge pull request #31 from maxscheurer/maxscheurer-patch-1 Amend LICENSE | 06 November 2020, 18:26:04 UTC |
| 3a89b99 | Maximilian Scheurer | 05 November 2020, 19:58:59 UTC | Update README.md | 05 November 2020, 19:58:59 UTC |
| 11a9549 | Maximilian Scheurer | 05 November 2020, 19:58:07 UTC | Update README.md | 05 November 2020, 19:58:07 UTC |
| 777cde1 | Maximilian Scheurer | 05 November 2020, 19:57:42 UTC | Update README.md | 05 November 2020, 19:57:42 UTC |
| 02d954e | Maximilian Scheurer | 05 November 2020, 19:50:23 UTC | Amend LICENSE | 05 November 2020, 19:50:23 UTC |
| 0d2901f | Maximilian Scheurer | 29 October 2020, 21:34:35 UTC | Bump version: 0.3.0 → 0.3.1 | 29 October 2020, 21:34:35 UTC |
| 57d3b72 | Maximilian Scheurer | 29 October 2020, 21:32:05 UTC | remove omp include | 29 October 2020, 21:32:05 UTC |
| ae31801 | Maximilian Scheurer | 29 October 2020, 21:24:35 UTC | update setup | 29 October 2020, 21:24:35 UTC |
| ba6d4bc | Maximilian Scheurer | 29 October 2020, 21:21:49 UTC | Bump version: 0.2.1 → 0.3.0 | 29 October 2020, 21:21:49 UTC |
| a968ac4 | Maximilian Scheurer | 28 October 2020, 12:40:57 UTC | Merge pull request #29 from maxscheurer/fmmgen Fast Multipole Method | 28 October 2020, 12:40:57 UTC |
| 04b6db3 | Maximilian Scheurer | 28 October 2020, 12:15:25 UTC | change defaults | 28 October 2020, 12:15:25 UTC |
| 159e946 | Maximilian Scheurer | 28 October 2020, 11:36:24 UTC | add pandas for cmake as well | 28 October 2020, 11:36:24 UTC |
| d13a875 | Maximilian Scheurer | 28 October 2020, 11:34:15 UTC | add missing comma | 28 October 2020, 11:34:15 UTC |
| 9cdd9a4 | Maximilian Scheurer | 28 October 2020, 11:29:22 UTC | amend tests require | 28 October 2020, 11:29:22 UTC |
| 70b985a | Maximilian Scheurer | 28 October 2020, 11:23:19 UTC | more cleanup | 28 October 2020, 11:23:19 UTC |
| 1e111f6 | Maximilian Scheurer | 28 October 2020, 11:21:50 UTC | remove print statement, add test against reference data | 28 October 2020, 11:21:50 UTC |
| 09f7b8c | Maximilian Scheurer | 28 October 2020, 11:01:17 UTC | add element symbols, cleanup | 28 October 2020, 11:01:17 UTC |
| 87ffeb2 | Maximilian Scheurer | 27 October 2020, 11:15:45 UTC | add derivatives of induced moments | 27 October 2020, 11:15:45 UTC |
| 13da6a9 | Maximilian Scheurer | 10 September 2020, 07:18:14 UTC | add fmul test script | 10 September 2020, 07:18:14 UTC |
| 19e1969 | Maximilian Scheurer | 09 September 2020, 15:35:52 UTC | formatting, abort compute_tree for unsupported moments | 09 September 2020, 15:42:28 UTC |
| 7edffc8 | Maximilian Scheurer | 09 September 2020, 15:32:52 UTC | new autogenerated code, generator script, fields | 09 September 2020, 15:32:52 UTC |
| 4048164 | Maximilian Scheurer | 01 September 2020, 10:01:20 UTC | remove print statement | 01 September 2020, 10:01:20 UTC |
| 3e1f996 | Maximilian Scheurer | 18 August 2020, 07:30:15 UTC | use outside guess for CG | 18 August 2020, 07:30:15 UTC |
| 3e6c8eb | Maximilian Scheurer | 22 July 2020, 14:56:01 UTC | update benchmark script | 22 July 2020, 14:56:01 UTC |
| 3cf18d6 | Maximilian Scheurer | 22 July 2020, 14:47:17 UTC | fix memory problems | 22 July 2020, 14:48:20 UTC |
| 1859ffd | Maximilian Scheurer | 15 July 2020, 07:35:12 UTC | make lgtm a bit happier | 15 July 2020, 07:35:12 UTC |
| e4ada2e | Maximilian Scheurer | 14 July 2020, 11:45:35 UTC | fix setup.py | 14 July 2020, 11:46:19 UTC |
| e34d8b5 | Maximilian Scheurer | 14 July 2020, 11:43:27 UTC | quick access to positions | 14 July 2020, 11:43:27 UTC |
| 0b459a5 | Maximilian Scheurer | 08 July 2020, 19:13:58 UTC | precompute positions, add timings | 08 July 2020, 19:15:49 UTC |
| 802cfc5 | Maximilian Scheurer | 08 July 2020, 18:37:36 UTC | export exclusions | 08 July 2020, 18:37:36 UTC |
| 3341aa9 | Maximilian Scheurer | 08 July 2020, 18:30:39 UTC | add timings script | 08 July 2020, 18:30:39 UTC |
| 1f63aa9 | Maximilian Scheurer | 08 July 2020, 18:29:15 UTC | try out fmmgen stuff | 08 July 2020, 18:29:15 UTC |
| 01020be | Maximilian Scheurer | 07 June 2020, 15:36:50 UTC | amend readme and fix travis | 07 June 2020, 15:36:50 UTC |
| 43b2b9b | Maximilian Scheurer | 07 June 2020, 15:23:31 UTC | correct license name | 07 June 2020, 15:23:31 UTC |
| b4ba1c6 | Maximilian Scheurer | 07 June 2020, 15:17:49 UTC | Bump version: 0.2.0 → 0.2.1 | 07 June 2020, 15:17:49 UTC |
| 01fbfa3 | Maximilian Scheurer | 07 June 2020, 15:08:49 UTC | add PR to contributors, update metadata | 07 June 2020, 15:08:49 UTC |
| 17a9da9 | Maximilian Scheurer | 06 June 2020, 18:39:43 UTC | revert | 06 June 2020, 18:39:43 UTC |
| f444759 | Maximilian Scheurer | 06 June 2020, 18:37:00 UTC | correct setup.py script | 06 June 2020, 18:37:00 UTC |
| 3f37be1 | Maximilian Scheurer | 06 June 2020, 18:29:13 UTC | pip upload stuff | 06 June 2020, 18:29:13 UTC |
| 7003018 | Maximilian Scheurer | 06 June 2020, 12:54:12 UTC | Bump version: 0.1.3 → 0.2.0 | 06 June 2020, 12:54:12 UTC |
| aac1293 | Maximilian Scheurer | 06 June 2020, 12:44:57 UTC | Merge pull request #26 from maxscheurer/tensors Retire recursive T-tensors | 06 June 2020, 12:44:57 UTC |
| 83a9757 | Maximilian Scheurer | 06 June 2020, 12:40:15 UTC | cleanup, add gen script | 06 June 2020, 12:40:15 UTC |
| e0c272e | Maximilian Scheurer | 06 June 2020, 12:23:15 UTC | use const ref | 06 June 2020, 12:23:15 UTC |
| b6ff909 | Maximilian Scheurer | 05 June 2020, 18:10:47 UTC | retire damped recursive tensors | 05 June 2020, 18:10:47 UTC |
| 8f9c2ad | Maximilian Scheurer | 05 June 2020, 18:01:48 UTC | adapt tests | 05 June 2020, 18:01:48 UTC |
| 4e46538 | Maximilian Scheurer | 04 June 2020, 17:55:04 UTC | restructuring tensors | 05 June 2020, 17:27:26 UTC |
| 0e82bd7 | Maximilian Scheurer | 05 June 2020, 17:19:47 UTC | Merge pull request #27 from maxscheurer/amend_tests Amend and refactor tests | 05 June 2020, 17:19:47 UTC |
| 4892b90 | Maximilian Scheurer | 05 June 2020, 15:58:06 UTC | add multipole and nuclear fields test | 05 June 2020, 15:59:24 UTC |
| 296d669 | Maximilian Scheurer | 05 June 2020, 15:30:46 UTC | test damped multipole derivatives | 05 June 2020, 15:30:46 UTC |
| 4eaa5db | Maximilian Scheurer | 05 June 2020, 14:56:29 UTC | refactor test suite | 05 June 2020, 15:22:03 UTC |
| ba4abb2 | Maximilian Scheurer | 02 June 2020, 16:14:40 UTC | Merge pull request #25 from maxscheurer/options Refactor options | 02 June 2020, 16:14:40 UTC |
| d105f99 | Maximilian Scheurer | 02 June 2020, 12:48:53 UTC | expose valid option keys to python | 02 June 2020, 12:58:37 UTC |
| aacfef6 | Maximilian Scheurer | 02 June 2020, 10:55:28 UTC | refactor border options | 02 June 2020, 10:55:28 UTC |
| 3332ee7 | Maximilian Scheurer | 02 June 2020, 09:21:09 UTC | refactor options to be dict py-side | 02 June 2020, 09:21:09 UTC |
| 11f4bf1 | Maximilian Scheurer | 26 May 2020, 07:16:48 UTC | Update README.md | 26 May 2020, 07:16:48 UTC |
| 053433e | Maximilian Scheurer | 26 May 2020, 07:09:47 UTC | Update README.md | 26 May 2020, 07:09:47 UTC |
| d202899 | Maximilian Scheurer | 25 May 2020, 19:16:12 UTC | Update README.md | 25 May 2020, 19:16:12 UTC |
| 20c3070 | Maximilian Scheurer | 25 May 2020, 16:20:36 UTC | Merge pull request #24 from maxscheurer/pip Add simple standalone setup.py | 25 May 2020, 16:20:36 UTC |
| 437bc3e | Maximilian Scheurer | 20 May 2020, 17:46:41 UTC | use pytest | 20 May 2020, 17:46:41 UTC |
| cfd0f50 | Maximilian Scheurer | 20 May 2020, 16:46:18 UTC | fix yaml | 20 May 2020, 16:46:18 UTC |
