| 9b82f19 | Janus Juul Eriksen | 18 November 2019, 22:38:27 UTC | Merge branch 'dev' | 18 November 2019, 22:38:27 UTC |
| 0c6a2c7 | Janus Juul Eriksen | 16 November 2019, 15:04:54 UTC | avoid dipole ints for non-molecular Hamiltonians | 16 November 2019, 15:04:54 UTC |
| d615e58 | Janus Juul Eriksen | 13 November 2019, 10:01:56 UTC | fix kernel doctests | 13 November 2019, 10:01:56 UTC |
| f28321b | Janus Juul Eriksen | 31 October 2019, 22:57:13 UTC | change to coov pruning | 31 October 2019, 22:57:13 UTC |
| 1bdb44d | Janus Juul Eriksen | 31 October 2019, 11:32:48 UTC | lift restriction preventing base models for casscf refs | 31 October 2019, 11:32:48 UTC |
| 413dbe3 | Janus Juul Eriksen | 30 October 2019, 15:33:58 UTC | more printed digits for energy summary | 30 October 2019, 15:33:58 UTC |
| 7790138 | Janus Juul Eriksen | 30 October 2019, 13:01:43 UTC | gauge origin | 30 October 2019, 13:01:43 UTC |
| d887966 | Janus Juul Eriksen | 30 October 2019, 11:16:41 UTC | spin-related fixes | 30 October 2019, 11:16:41 UTC |
| 918b7b8 | Janus Juul Eriksen | 30 October 2019, 10:07:25 UTC | changed doctests for ref_mo | 30 October 2019, 10:07:25 UTC |
| b4221dd | Janus Juul Eriksen (Mainz) | 29 October 2019, 23:51:04 UTC | dipole fixes | 29 October 2019, 23:51:04 UTC |
| 0393b10 | Janus Juul Eriksen | 29 October 2019, 15:58:25 UTC | better assertion | 29 October 2019, 15:58:25 UTC |
| 15d385f | Janus Juul Eriksen | 29 October 2019, 15:31:01 UTC | update to casscf output | 29 October 2019, 15:31:01 UTC |
| 51367fb | Janus Juul Eriksen | 29 October 2019, 15:17:30 UTC | state-specfic casscf + remove mom-scf | 29 October 2019, 15:17:30 UTC |
| 4d18a3e | Janus Juul Eriksen | 28 October 2019, 13:22:46 UTC | newton | 28 October 2019, 13:22:46 UTC |
| 1e9093b | Janus Juul Eriksen | 28 October 2019, 10:03:21 UTC | new hf_ref dict | 28 October 2019, 10:03:21 UTC |
| b377b65 | Janus Juul Eriksen | 25 October 2019, 15:00:00 UTC | remove dipole noise cancelling | 25 October 2019, 15:00:00 UTC |
| 758414d | Janus Juul Eriksen | 25 October 2019, 14:24:26 UTC | typo | 25 October 2019, 14:24:26 UTC |
| 43a1d37 | Janus Juul Eriksen | 25 October 2019, 13:22:47 UTC | small output update | 25 October 2019, 13:22:47 UTC |
| b277a21 | Janus Juul Eriksen | 24 October 2019, 21:45:28 UTC | fix | 24 October 2019, 21:45:28 UTC |
| 2897108 | Janus Juul Eriksen | 24 October 2019, 15:27:13 UTC | changes to result summary | 24 October 2019, 15:27:13 UTC |
| 229e4ef | Janus Juul Eriksen | 24 October 2019, 13:23:12 UTC | add x2c option | 24 October 2019, 13:23:12 UTC |
| 552f8ba | Janus Juul Eriksen | 24 October 2019, 12:19:15 UTC | fix to print-out of ref dipole | 24 October 2019, 12:19:15 UTC |
| 0f7c086 | Janus Juul Eriksen | 24 October 2019, 10:56:30 UTC | typo | 24 October 2019, 10:56:30 UTC |
| 9af1d00 | Janus Juul Eriksen | 24 October 2019, 10:55:09 UTC | WIP: pi_prune with coov | 24 October 2019, 10:55:09 UTC |
| 3a74e05 | Janus Juul Eriksen | 24 October 2019, 08:59:55 UTC | remove 'new' screening protocol | 24 October 2019, 08:59:55 UTC |
| d850da9 | Janus Juul Eriksen | 21 October 2019, 10:03:34 UTC | fix | 21 October 2019, 10:03:34 UTC |
| ffcf50f | Janus Juul Eriksen | 21 October 2019, 09:52:55 UTC | more fixes | 21 October 2019, 09:52:55 UTC |
| 749401f | Janus Juul Eriksen | 21 October 2019, 08:30:04 UTC | fix to last commit | 21 October 2019, 08:30:04 UTC |
| 974a071 | Janus Juul Eriksen | 21 October 2019, 07:57:24 UTC | small fix | 21 October 2019, 07:57:24 UTC |
| dbfa21d | Janus Juul Eriksen | 18 October 2019, 14:51:44 UTC | update h2o_631g tests | 18 October 2019, 14:51:44 UTC |
| 6c5b607 | Janus Juul Eriksen | 18 October 2019, 14:42:07 UTC | updated c2_631g tests | 18 October 2019, 14:42:07 UTC |
| 91a34de | Janus Juul Eriksen | 18 October 2019, 14:37:48 UTC | update 1d hubbard tests | 18 October 2019, 14:37:48 UTC |
| 4db3ce4 | Janus Juul Eriksen | 18 October 2019, 14:19:45 UTC | Merge branch 'master' into dev | 18 October 2019, 14:19:45 UTC |
| b4ffd60 | Janus Juul Eriksen | 18 October 2019, 14:19:31 UTC | Merge branch 'dev' | 18 October 2019, 14:19:31 UTC |
| 4e5ee9e | Janus Juul Eriksen | 18 October 2019, 14:19:03 UTC | done with doctests | 18 October 2019, 14:19:03 UTC |
| d0b8693 | Janus Juul Eriksen | 18 October 2019, 13:27:50 UTC | doctest for kernel._fci() | 18 October 2019, 13:27:50 UTC |
| 7b15a17 | Janus Juul Eriksen | 18 October 2019, 13:02:10 UTC | doctest for kernel._casscf() | 18 October 2019, 13:02:10 UTC |
| 96d4c7d | Janus Juul Eriksen | 18 October 2019, 10:32:28 UTC | doctest for kernel.base() | 18 October 2019, 10:32:28 UTC |
| 75699cc | Janus Juul Eriksen | 18 October 2019, 10:14:09 UTC | doctest for ref_prop | 18 October 2019, 10:14:09 UTC |
| 07e9790 | Janus Juul Eriksen | 17 October 2019, 22:17:51 UTC | changed doctest to kernel.main() | 17 October 2019, 22:17:51 UTC |
| 699ea31 | Janus Juul Eriksen | 17 October 2019, 20:31:13 UTC | fix to new screening | 17 October 2019, 20:31:13 UTC |
| d8236f9 | Janus Juul Eriksen | 17 October 2019, 14:38:11 UTC | doctests for ref_mo | 17 October 2019, 14:38:11 UTC |
| aaf0823 | Janus Juul Eriksen | 17 October 2019, 10:57:05 UTC | new screening protocol dict | 17 October 2019, 10:57:05 UTC |
| 1a8cb71 | Janus Juul Eriksen | 14 October 2019, 22:07:01 UTC | fix wrt seed space | 14 October 2019, 22:07:01 UTC |
| cd3f8c2 | Janus Juul Eriksen | 12 October 2019, 14:23:42 UTC | fix to previous commit | 12 October 2019, 14:23:42 UTC |
| 5b04329 | Janus Juul Eriksen | 12 October 2019, 13:49:04 UTC | pi-orbitals on basis of dooh | 12 October 2019, 13:49:04 UTC |
| c31b339 | Janus Juul Eriksen | 11 October 2019, 15:46:19 UTC | allow for base models in dipole calculations | 11 October 2019, 15:46:19 UTC |
| 9be1176 | Janus Juul Eriksen | 11 October 2019, 11:24:26 UTC | Merge branch 'master' into dev | 11 October 2019, 11:24:26 UTC |
| d445adb | Janus Juul Eriksen | 11 October 2019, 11:23:52 UTC | Merge branch 'dev' | 11 October 2019, 11:23:52 UTC |
| 7f39486 | Janus Juul Eriksen | 11 October 2019, 11:19:06 UTC | seed restart files | 11 October 2019, 11:19:06 UTC |
| 55669c0 | Janus Juul Eriksen | 11 October 2019, 11:15:44 UTC | Merge branch 'master' into dev | 11 October 2019, 11:15:44 UTC |
| 08ad1b8 | Janus Juul Eriksen | 11 October 2019, 11:15:20 UTC | update README | 11 October 2019, 11:15:20 UTC |
| 03bc205 | Janus Juul Eriksen | 11 October 2019, 11:12:38 UTC | Merge branch 'master' into dev | 11 October 2019, 11:12:38 UTC |
| 7dab55f | Janus Juul Eriksen | 11 October 2019, 11:12:17 UTC | Merge branch 'dev' | 11 October 2019, 11:12:17 UTC |
| 7e4898e | Janus Juul Eriksen | 11 October 2019, 10:26:56 UTC | bugfix for pi-pruning | 11 October 2019, 10:26:56 UTC |
| 27293a1 | Janus Juul Eriksen | 11 October 2019, 09:22:54 UTC | arbitrary references | 11 October 2019, 09:22:54 UTC |
| fca1ac3 | Janus Juul Eriksen | 10 October 2019, 22:04:11 UTC | arbitrary occ references | 10 October 2019, 22:04:11 UTC |
| 9a31b17 | Janus Juul Eriksen | 09 October 2019, 14:09:25 UTC | Merge branch 'master' into dev | 09 October 2019, 14:09:25 UTC |
| 2cbe61b | Janus Juul Eriksen | 09 October 2019, 14:08:22 UTC | Update README.md | 09 October 2019, 14:08:22 UTC |
| a0668bc | Janus Juul Eriksen | 09 October 2019, 14:07:57 UTC | Update README.md with new arXiv paper | 09 October 2019, 14:07:57 UTC |
| 68305e8 | Janus Juul Eriksen | 09 October 2019, 14:04:31 UTC | Merge branch 'dev' | 09 October 2019, 14:04:31 UTC |
| d49adc1 | Janus Juul Eriksen | 09 October 2019, 14:03:37 UTC | WIP: testing - h2o_631g_casscf_val_ref (dipole) | 09 October 2019, 14:03:37 UTC |
| 364de39 | Janus Juul Eriksen | 09 October 2019, 12:53:41 UTC | Merge branch 'master' into dev | 09 October 2019, 12:53:41 UTC |
| c3d6d2e | Janus Juul Eriksen | 09 October 2019, 12:53:12 UTC | Update README.md with doctest | 09 October 2019, 12:53:12 UTC |
| a5a5a2b | Janus Juul Eriksen | 09 October 2019, 12:47:38 UTC | Merge branch 'dev' | 09 October 2019, 12:47:38 UTC |
| ec60141 | Janus Juul Eriksen | 09 October 2019, 12:46:43 UTC | WIP: testing - c2_631g_casci_val_ref_pi_pruned | 09 October 2019, 12:46:43 UTC |
| 01eada0 | Janus Juul Eriksen | 09 October 2019, 12:06:46 UTC | WIP: testing - c2_631g_sa_casscf_val_ref | 09 October 2019, 12:06:46 UTC |
| c3c9a39 | Janus Juul Eriksen | 09 October 2019, 11:59:24 UTC | WIP: testing - 1d_hubbard_local | 09 October 2019, 11:59:24 UTC |
| 2bd56a4 | Janus Juul Eriksen | 09 October 2019, 11:18:39 UTC | WIP: testing - 1d_hubbard_canonical | 09 October 2019, 11:18:39 UTC |
| 27e8914 | Janus Juul Eriksen | 09 October 2019, 11:13:18 UTC | WIP: testing - h2o_631g_casscf_val_ref | 09 October 2019, 11:13:18 UTC |
| c7cf580 | Janus Juul Eriksen | 09 October 2019, 11:11:05 UTC | WIP: testing - h2o_631g_casci_val_ref | 09 October 2019, 11:11:05 UTC |
| 5c57b2e | Janus Juul Eriksen | 09 October 2019, 11:03:08 UTC | WIP: testing - h2o_631g_vac_ref | 09 October 2019, 11:03:08 UTC |
| a6638fe | Janus Juul Eriksen | 09 October 2019, 10:55:11 UTC | Merge branch 'dev' of gitlab.com:januseriksen/pymbe into dev | 09 October 2019, 10:55:11 UTC |
| b0283f4 | Janus Juul Eriksen | 09 October 2019, 10:54:49 UTC | Update README.md with reference to runtest | 09 October 2019, 10:54:49 UTC |
| 8297fcc | Janus Juul Eriksen | 09 October 2019, 10:51:56 UTC | WIP: testing - h2o_631g_hf_ref_2 | 09 October 2019, 10:51:56 UTC |
| d011c14 | Janus Juul Eriksen | 09 October 2019, 10:46:43 UTC | WIP: testing | 09 October 2019, 10:46:43 UTC |
| 1224c9c | Janus Juul Eriksen | 09 October 2019, 08:03:01 UTC | Merge branch 'dev' | 09 October 2019, 08:03:01 UTC |
| fcb9564 | Janus Juul Eriksen | 09 October 2019, 08:02:33 UTC | move logo | 09 October 2019, 08:02:33 UTC |
| 1dc778d | Janus Juul Eriksen | 08 October 2019, 22:38:49 UTC | Merge branch 'dev' | 08 October 2019, 22:38:49 UTC |
| 616d71f | Janus Juul Eriksen | 08 October 2019, 22:37:31 UTC | forgot to change input file in last commit | 08 October 2019, 22:37:31 UTC |
| d3ed290 | Janus Juul Eriksen | 08 October 2019, 22:36:50 UTC | rename | 08 October 2019, 22:36:50 UTC |
| 62a4872 | Janus Juul Eriksen | 08 October 2019, 22:35:37 UTC | c2 tests | 08 October 2019, 22:35:37 UTC |
| 38252c4 | Janus Juul Eriksen | 08 October 2019, 22:30:48 UTC | more examples | 08 October 2019, 22:30:48 UTC |
| 1229813 | Janus Juul Eriksen | 08 October 2019, 22:21:57 UTC | rename | 08 October 2019, 22:21:57 UTC |
| 33aed29 | Janus Juul Eriksen | 08 October 2019, 22:21:37 UTC | more examples | 08 October 2019, 22:21:37 UTC |
| b47129f | Janus Juul Eriksen | 08 October 2019, 22:19:06 UTC | remove misc dir | 08 October 2019, 22:19:06 UTC |
| b617e14 | Janus Juul Eriksen | 08 October 2019, 09:52:05 UTC | fix for valence cas references | 08 October 2019, 09:52:05 UTC |
| e9fc859 | Janus Juul Eriksen | 08 October 2019, 09:10:51 UTC | updated some doctests | 08 October 2019, 09:10:51 UTC |
| 3b77933 | Janus Juul Eriksen | 07 October 2019, 23:16:28 UTC | possible fix for restart bug | 07 October 2019, 23:16:28 UTC |
| 42ef85d | Janus Juul Eriksen | 07 October 2019, 22:44:06 UTC | changed even more barriers | 07 October 2019, 22:44:06 UTC |
| b138f5d | Janus Juul Eriksen | 07 October 2019, 22:30:39 UTC | formatting | 07 October 2019, 22:30:39 UTC |
| f7816f6 | Janus Juul Eriksen | 07 October 2019, 22:25:10 UTC | changed some barriers | 07 October 2019, 22:25:10 UTC |
| f0693b4 | Janus Juul Eriksen | 07 October 2019, 15:37:45 UTC | WIP: even more typing and doctests in kernel.py | 07 October 2019, 15:37:45 UTC |
| 7b588a0 | Janus Juul Eriksen | 07 October 2019, 13:25:48 UTC | WIP: more typing and doctests in kernel.py | 07 October 2019, 13:25:48 UTC |
| fa88966 | Janus Juul Eriksen | 07 October 2019, 12:03:02 UTC | more attempts at memory reduction in screen.py | 07 October 2019, 12:03:02 UTC |
| d2192ba | Janus Juul Eriksen | 07 October 2019, 12:02:12 UTC | WIP: more typing and doctests in kernel.py | 07 October 2019, 12:02:12 UTC |
| 7ca65ec | Janus Juul Eriksen | 06 October 2019, 16:22:23 UTC | attempt to save memory in screen.py | 06 October 2019, 16:22:23 UTC |
| 8e21ea0 | Janus Juul Eriksen | 06 October 2019, 16:08:36 UTC | WIP: typing and doctests in kernel.py | 06 October 2019, 16:08:36 UTC |
| 2337de2 | Janus Juul Eriksen | 05 October 2019, 20:57:12 UTC | remove .key and .pdf files of logo | 05 October 2019, 20:57:12 UTC |
| a9cc971 | Janus Juul Eriksen | 05 October 2019, 20:55:30 UTC | update logo to Georgia font | 05 October 2019, 20:55:30 UTC |
