| 048ec7f | Janus Juul Eriksen | 26 June 2019, 08:33:12 UTC | do not reorder tuples in mbe | 26 June 2019, 08:33:12 UTC |
| a8e8338 | Janus Juul Eriksen | 25 June 2019, 13:44:03 UTC | comments | 25 June 2019, 13:44:03 UTC |
| d4f2e01 | Janus Juul Eriksen | 19 June 2019, 22:21:29 UTC | np.int32 bugfix for casscf references | 19 June 2019, 22:21:29 UTC |
| d76528b | Janus Juul Eriksen | 18 June 2019, 08:16:37 UTC | fix bug in n_pi_orbs | 18 June 2019, 08:16:37 UTC |
| b708c0f | Janus Juul Eriksen | 17 June 2019, 14:38:25 UTC | include pi-prune info in results table | 17 June 2019, 14:38:25 UTC |
| e241aa1 | Janus Juul Eriksen | 17 June 2019, 14:34:10 UTC | PI_THRES = 1.0e-04 once again | 17 June 2019, 14:34:10 UTC |
| 0e4cb9b | Janus Juul Eriksen | 17 June 2019, 13:27:15 UTC | remove legends in plots | 17 June 2019, 13:27:15 UTC |
| 9e5143e | Janus Juul Eriksen | 17 June 2019, 11:05:02 UTC | fix to last commit | 17 June 2019, 11:05:02 UTC |
| c5addfa | Janus Juul Eriksen | 17 June 2019, 10:45:58 UTC | WIP on new pruning | 17 June 2019, 10:45:58 UTC |
| 3b9cc7b | Janus Juul Eriksen | 14 June 2019, 14:38:28 UTC | more complete pi-pruning ready for testing | 14 June 2019, 14:38:28 UTC |
| ac84c36 | Janus Juul Eriksen | 14 June 2019, 14:37:07 UTC | only use non-blocking mpi in mbe.py | 14 June 2019, 14:37:07 UTC |
| 2e7bbf4 | Janus Juul Eriksen | 14 June 2019, 13:34:32 UTC | minor style update to system.py | 14 June 2019, 13:34:32 UTC |
| fc8071e | Janus Juul Eriksen | 06 June 2019, 09:43:29 UTC | another casscf fix | 06 June 2019, 09:43:29 UTC |
| 3bece81 | Janus Juul Eriksen | 06 June 2019, 08:58:25 UTC | fix for casscf reference | 06 June 2019, 08:58:25 UTC |
| 7d4d3eb | Janus Juul Eriksen | 05 June 2019, 13:59:46 UTC | small fix in init_tup | 05 June 2019, 13:59:46 UTC |
| 3e0a306 | Janus Juul Eriksen | 31 May 2019, 08:01:21 UTC | rst print fix | 31 May 2019, 08:01:21 UTC |
| 6f3ec4f | Janus Juul Eriksen | 29 May 2019, 09:08:32 UTC | bugfix | 29 May 2019, 09:08:32 UTC |
| b0dcadd | Janus Juul Eriksen | 28 May 2019, 21:53:52 UTC | reverted seed commit + communicate slaves_needed in screen | 28 May 2019, 21:53:52 UTC |
| 2d9d9fd | Janus Juul Eriksen | 28 May 2019, 18:57:48 UTC | allow for virt seed | 28 May 2019, 18:57:48 UTC |
| 86f15ab | Janus Juul Eriksen | 28 May 2019, 11:09:17 UTC | loc debug | 28 May 2019, 11:09:17 UTC |
| a834a6d | Janus Juul Eriksen (lumo) | 28 May 2019, 09:32:14 UTC | tighter loc threshold | 28 May 2019, 09:32:14 UTC |
| ceb0bff | Janus Juul Eriksen | 26 May 2019, 11:08:54 UTC | occ_prune and occ_virt_prune | 26 May 2019, 11:08:54 UTC |
| a0e78b6 | Janus Juul Eriksen | 26 May 2019, 10:27:11 UTC | fix | 26 May 2019, 10:27:11 UTC |
| 44a1fe4 | Janus Juul Eriksen | 26 May 2019, 10:26:29 UTC | removed cas_corr checks | 26 May 2019, 10:26:29 UTC |
| 39108ab | Janus Juul Eriksen | 26 May 2019, 10:01:31 UTC | renaming in screen.py | 26 May 2019, 10:01:31 UTC |
| 7e59053 | Janus Juul Eriksen | 24 May 2019, 23:19:14 UTC | a few comments | 24 May 2019, 23:19:14 UTC |
| f2a0109 | Janus Juul Eriksen | 24 May 2019, 10:39:40 UTC | set_mbe function + style updates | 24 May 2019, 10:39:40 UTC |
| 1c50e9b | Janus Juul Eriksen | 24 May 2019, 09:20:59 UTC | moved occ_seed onto slaves | 24 May 2019, 09:20:59 UTC |
| 6bc4cf7 | Janus Juul Eriksen | 23 May 2019, 19:20:08 UTC | hubbard bugfixes | 23 May 2019, 19:20:08 UTC |
| 790b9fc | Janus Juul Eriksen | 23 May 2019, 12:24:13 UTC | rst print works again | 23 May 2019, 12:24:13 UTC |
| 22963c4 | Janus Juul Eriksen | 23 May 2019, 11:50:25 UTC | few fixes | 23 May 2019, 11:50:25 UTC |
| 7530f99 | Janus Juul Eriksen | 23 May 2019, 09:22:15 UTC | correct system size | 23 May 2019, 09:22:15 UTC |
| 9faa23d | Janus Juul Eriksen | 23 May 2019, 08:31:04 UTC | fix | 23 May 2019, 08:31:04 UTC |
| 7eb856d | Janus Juul Eriksen | 23 May 2019, 08:09:05 UTC | another bugfix | 23 May 2019, 08:09:05 UTC |
| 77ad611 | Janus Juul Eriksen | 23 May 2019, 07:59:31 UTC | bugfix | 23 May 2019, 07:59:31 UTC |
| b93af8a | Janus Juul Eriksen | 22 May 2019, 19:31:49 UTC | re-introduced pi-pruning | 22 May 2019, 19:31:49 UTC |
| ffda93e | Janus Juul Eriksen | 22 May 2019, 13:23:36 UTC | WIP | 22 May 2019, 13:23:36 UTC |
| f1c53e1 | Janus Juul Eriksen | 22 May 2019, 10:58:38 UTC | pi_pruning - pt 1 | 22 May 2019, 10:58:38 UTC |
| 4f148c4 | Janus Juul Eriksen | 21 May 2019, 15:29:37 UTC | only account for nonzero increments in mbe_end | 21 May 2019, 15:29:37 UTC |
| 23c31fa | Janus Juul Eriksen | 21 May 2019, 15:10:31 UTC | changed error prints in _fci | 21 May 2019, 15:10:31 UTC |
| 75b4602 | Janus Juul Eriksen | 21 May 2019, 15:03:37 UTC | pep-8 | 21 May 2019, 15:03:37 UTC |
| c0d8c74 | Janus Juul Eriksen | 21 May 2019, 15:02:56 UTC | Merge branch 'mo_ints' into dev | 21 May 2019, 15:02:56 UTC |
| 1ee4082 | Janus Juul Eriksen | 21 May 2019, 14:54:46 UTC | pep-8 | 21 May 2019, 14:54:46 UTC |
| 5bf0ceb | Janus Juul Eriksen | 21 May 2019, 14:30:00 UTC | bump version to 0.8 | 21 May 2019, 14:30:00 UTC |
| 81bd18e | Janus Juul Eriksen | 21 May 2019, 14:26:13 UTC | style update to kernel.py | 21 May 2019, 14:26:13 UTC |
| 37fa7b4 | Janus Juul Eriksen | 21 May 2019, 10:18:25 UTC | style update to restart.py | 21 May 2019, 10:18:25 UTC |
| 32bd19a | Janus Juul Eriksen | 21 May 2019, 09:25:53 UTC | style update to results.py | 21 May 2019, 09:25:53 UTC |
| 7891df8 | Janus Juul Eriksen | 20 May 2019, 21:34:32 UTC | more style updates | 20 May 2019, 21:34:32 UTC |
| 23aae02 | Janus Juul Eriksen | 20 May 2019, 21:21:28 UTC | style update to output.py - pt 2 | 20 May 2019, 21:21:28 UTC |
| 79f18d0 | Janus Juul Eriksen | 20 May 2019, 19:15:14 UTC | style update to output.py - pt. 1 | 20 May 2019, 19:15:14 UTC |
| a74a45a | Janus Juul Eriksen | 20 May 2019, 15:30:35 UTC | small fix | 20 May 2019, 15:30:35 UTC |
| 70975cd | Janus Juul Eriksen | 20 May 2019, 15:02:27 UTC | style update of tools.py | 20 May 2019, 15:02:27 UTC |
| c68a81a | Janus Juul Eriksen | 20 May 2019, 14:11:16 UTC | small update to driver.py | 20 May 2019, 14:11:16 UTC |
| 4b80e07 | Janus Juul Eriksen | 20 May 2019, 14:08:43 UTC | style update to main.py and setup.py | 20 May 2019, 14:08:43 UTC |
| 6d0f677 | Janus Juul Eriksen | 20 May 2019, 14:08:35 UTC | add new setup.py file | 20 May 2019, 14:08:35 UTC |
| b94a149 | Janus Juul Eriksen | 20 May 2019, 13:23:11 UTC | style update of mbe.py - pt. 2 | 20 May 2019, 13:23:11 UTC |
| 308dc39 | Janus Juul Eriksen | 20 May 2019, 10:39:16 UTC | style update of mbe.py - pt. 1 | 20 May 2019, 10:39:16 UTC |
| a19c5f9 | Janus Juul Eriksen | 20 May 2019, 10:20:36 UTC | style update of driver.py | 20 May 2019, 10:20:36 UTC |
| 14ccf6c | Janus Juul Eriksen | 20 May 2019, 09:24:02 UTC | style update of system.py | 20 May 2019, 09:24:02 UTC |
| e01d0e8 | Janus Juul Eriksen | 19 May 2019, 12:56:34 UTC | style update of calculation.py | 19 May 2019, 12:56:34 UTC |
| 0939975 | Janus Juul Eriksen | 18 May 2019, 11:23:54 UTC | style update of expansion.py | 18 May 2019, 11:23:54 UTC |
| 05a822b | Janus Juul Eriksen | 18 May 2019, 11:13:49 UTC | more style updates + reworked mpi operations | 18 May 2019, 11:13:49 UTC |
| 9a19247 | Janus Juul Eriksen | 17 May 2019, 15:02:46 UTC | insert comments | 17 May 2019, 15:02:46 UTC |
| 259e367 | Janus Juul Eriksen | 17 May 2019, 15:01:55 UTC | new updated mpi routines | 17 May 2019, 15:01:55 UTC |
| c46e6b1 | Janus Juul Eriksen | 17 May 2019, 12:10:47 UTC | reformated screen.py + update to 0.6 + update meta-data | 17 May 2019, 12:10:47 UTC |
| df10355 | Janus Juul Eriksen | 16 May 2019, 14:14:00 UTC | occupied seed at the end of screening | 16 May 2019, 14:14:00 UTC |
| 1b437e7 | Janus Juul Eriksen | 16 May 2019, 12:41:56 UTC | bugfix | 16 May 2019, 12:41:56 UTC |
| 663ed9b | Janus Juul Eriksen | 16 May 2019, 12:34:03 UTC | removed inner cas_corr check in _orbs | 16 May 2019, 12:34:03 UTC |
| fa85a45 | Janus Juul Eriksen | 16 May 2019, 12:18:12 UTC | handling of screening of all-occ tuples | 16 May 2019, 12:18:12 UTC |
| 4dfc4df | Janus Juul Eriksen | 16 May 2019, 11:22:10 UTC | polish | 16 May 2019, 11:22:10 UTC |
| 2c32099 | Janus Juul Eriksen | 16 May 2019, 11:20:43 UTC | fix to last commit | 16 May 2019, 11:20:43 UTC |
| f0e9c9e | Janus Juul Eriksen | 16 May 2019, 11:07:44 UTC | remove pi_pruning | 16 May 2019, 11:07:44 UTC |
| 1d72c6a | Janus Juul Eriksen | 16 May 2019, 09:23:13 UTC | bugfix | 16 May 2019, 09:23:13 UTC |
| 3fbf6b6 | Janus Juul Eriksen | 16 May 2019, 07:47:59 UTC | WIP on pruning | 16 May 2019, 07:47:59 UTC |
| 135f29c | Janus Juul Eriksen | 15 May 2019, 15:41:20 UTC | WIP on re-introducing pi pruning | 15 May 2019, 15:41:20 UTC |
| d21c00d | Janus Juul Eriksen | 15 May 2019, 08:36:27 UTC | comments | 15 May 2019, 08:36:27 UTC |
| d3e0397 | Janus Juul Eriksen | 14 May 2019, 18:52:49 UTC | small bugfix for tasks_occ | 14 May 2019, 18:52:49 UTC |
| 295bc00 | Janus Juul Eriksen | 14 May 2019, 15:11:35 UTC | communicate n_tasks in screening | 14 May 2019, 15:11:35 UTC |
| b65bdf7 | Janus Juul Eriksen | 14 May 2019, 15:06:55 UTC | style update | 14 May 2019, 15:06:55 UTC |
| 347e1b5 | Janus Juul Eriksen | 14 May 2019, 12:09:05 UTC | occupied tuples seed | 14 May 2019, 12:09:05 UTC |
| cfe53c2 | Janus Juul Eriksen | 14 May 2019, 10:26:06 UTC | WIP 7 | 14 May 2019, 10:26:06 UTC |
| d49c577 | Janus Juul Eriksen | 14 May 2019, 08:07:42 UTC | Merge branch 'mo_ints' of gitlab.com:januseriksen/pymbe into mo_ints | 14 May 2019, 08:07:42 UTC |
| a1bd245 | Janus Juul Eriksen | 14 May 2019, 08:07:16 UTC | start at k=2 for empty reference space | 14 May 2019, 08:07:16 UTC |
| a8ebeb8 | Janus Juul Eriksen | 13 May 2019, 22:45:55 UTC | WIP 6 | 13 May 2019, 22:45:55 UTC |
| 1da78c2 | Janus Juul Eriksen | 13 May 2019, 22:40:20 UTC | WIP 5 | 13 May 2019, 22:40:20 UTC |
| baa729d | Janus Juul Eriksen | 13 May 2019, 22:36:54 UTC | WIP 4 | 13 May 2019, 22:36:54 UTC |
| 64319b6 | Janus Juul Eriksen | 13 May 2019, 22:35:36 UTC | WIP 3 | 13 May 2019, 22:35:36 UTC |
| b5941a5 | Janus Juul Eriksen | 13 May 2019, 22:31:27 UTC | WIP 2 | 13 May 2019, 22:31:27 UTC |
| d015c6f | Janus Juul Eriksen | 13 May 2019, 22:27:20 UTC | hubbard bugfix in results | 13 May 2019, 22:27:20 UTC |
| 50dd0a9 | Janus Juul Eriksen | 13 May 2019, 22:13:24 UTC | WIP | 13 May 2019, 22:13:24 UTC |
| 2b4d296 | Janus Eriksen | 13 May 2019, 21:32:24 UTC | Merge branch 'mo_ints' of gitlab.com:januseriksen/pymbe into mo_ints | 13 May 2019, 21:32:24 UTC |
| 03ca0f9 | Janus Juul Eriksen | 13 May 2019, 21:31:57 UTC | rst bugfix | 13 May 2019, 21:31:57 UTC |
| a82081d | Janus Eriksen | 13 May 2019, 21:29:02 UTC | Merge branch 'mo_ints' of gitlab.com:januseriksen/pymbe into mo_ints | 13 May 2019, 21:29:02 UTC |
| 1e831fa | Janus Juul Eriksen | 13 May 2019, 20:43:03 UTC | hubbard bugfix | 13 May 2019, 20:43:03 UTC |
| 1f2e9fb | Janus Juul Eriksen | 13 May 2019, 20:29:47 UTC | revert alternate exp_space commit | 13 May 2019, 20:29:47 UTC |
| 47f27d1 | Janus Eriksen | 13 May 2019, 14:40:08 UTC | Merge branch 'mo_ints' of gitlab.com:januseriksen/pymbe into mo_ints | 13 May 2019, 14:40:08 UTC |
| 595aaf5 | Janus Juul Eriksen | 10 May 2019, 14:18:25 UTC | alternate exp_space | 10 May 2019, 14:18:25 UTC |
| 42541cb | Janus Juul Eriksen | 10 May 2019, 08:25:24 UTC | fix to previous commit | 10 May 2019, 08:25:24 UTC |
| 276e93c | Janus Juul Eriksen | 10 May 2019, 08:05:22 UTC | tweak to convergence criterium | 10 May 2019, 08:05:22 UTC |
| b4b2830 | Janus Eriksen | 08 May 2019, 09:31:11 UTC | Merge branch 'mo_ints' of gitlab.com:januseriksen/pymbe into mo_ints | 08 May 2019, 09:31:11 UTC |
