| 351b219 | Jakob Kraus | 07 October 2022, 12:12:09 UTC | Update README.md | 07 October 2022, 12:12:09 UTC |
| 4245fe8 | Sebastian Schwalbe | 02 September 2021, 06:48:50 UTC | Update README.md | 02 September 2021, 06:48:50 UTC |
| 80b558a | Sebastian Schwalbe | 02 September 2021, 06:48:04 UTC | Update README.md | 02 September 2021, 06:48:04 UTC |
| aad03cf | Sebastian Schwalbe | 31 August 2021, 06:01:07 UTC | Update README.md | 31 August 2021, 06:01:07 UTC |
| aa12a3a | Jakob Kraus | 12 October 2020, 16:03:54 UTC | Update README.md | 12 October 2020, 16:03:54 UTC |
| 87b5390 | Jakob Kraus | 12 October 2020, 16:02:33 UTC | Update README.md | 12 October 2020, 16:02:33 UTC |
| d2cb3b2 | Jakob Kraus | 02 September 2020, 15:10:11 UTC | Update init_venv.sh typo | 02 September 2020, 15:10:11 UTC |
| a0cf343 | Jakob Kraus | 02 September 2020, 10:07:26 UTC | added more ASE import comptability | 02 September 2020, 10:07:26 UTC |
| 501d2bd | Jakob Kraus | 27 August 2020, 12:00:54 UTC | reintroduced run.sh file | 27 August 2020, 12:00:54 UTC |
| 74ee3f4 | Jakob Kraus | 27 August 2020, 09:30:39 UTC | Delete 05_pyberny_nuclei_optimization.py redundant, identical script to 05_pyberny_nuclear_optimization.py | 27 August 2020, 09:30:39 UTC |
| e640e5e | Jakob Kraus | 27 August 2020, 09:29:32 UTC | Update 05_pyberny_nuclear_optimization.py | 27 August 2020, 09:29:32 UTC |
| 270eb7a | Jakob Kraus | 26 August 2020, 14:30:25 UTC | reversed previous update | 26 August 2020, 14:30:25 UTC |
| 97dfe82 | Jakob Kraus | 26 August 2020, 14:19:40 UTC | included 'HOO' explicitly to match refs | 26 August 2020, 14:19:40 UTC |
| 9281a3c | Jakob Kraus | 26 August 2020, 13:50:14 UTC | updated README | 26 August 2020, 13:50:14 UTC |
| c9b68ea | Jakob Kraus | 26 August 2020, 13:41:58 UTC | Update ase_pyflosic_calculator.py | 26 August 2020, 13:41:58 UTC |
| 1053123 | Jakob Kraus | 25 August 2020, 22:58:22 UTC | Delete preopt.D3_km_outer_loop-50.py37m.nbi | 25 August 2020, 22:58:22 UTC |
| fae6a87 | Jakob Kraus | 25 August 2020, 22:57:29 UTC | Delete preopt.D3_km_outer_loop-50.py37m.1.nbc | 25 August 2020, 22:57:29 UTC |
| 09cf77d | Jakob Kraus | 25 August 2020, 22:34:14 UTC | Update AUTHORS.md | 25 August 2020, 22:34:14 UTC |
| 002a84d | Jakob Kraus | 25 August 2020, 22:31:26 UTC | Update AUTHORS.md | 25 August 2020, 22:31:26 UTC |
| 801d002 | Jakob Kraus | 25 August 2020, 22:26:45 UTC | Merge pull request #2 from pyflosic/update_master Update master | 25 August 2020, 22:26:45 UTC |
| d781411 | Sebastian Schwalbe | 25 August 2020, 22:21:45 UTC | Update README.md | 25 August 2020, 22:21:45 UTC |
| c4fdc8d | Jakob Kraus | 25 August 2020, 22:21:00 UTC | Update INSTALL.md | 25 August 2020, 22:21:00 UTC |
| 0b56c89 | Sebastian Schwalbe | 25 August 2020, 22:20:37 UTC | Update README.md | 25 August 2020, 22:20:37 UTC |
| d18fdb2 | Jakob Kraus | 25 August 2020, 22:20:25 UTC | Update INSTALL.md | 25 August 2020, 22:20:25 UTC |
| 261d60e | Jakob Kraus | 25 August 2020, 22:18:48 UTC | Update INSTALL.md | 25 August 2020, 22:18:48 UTC |
| fbb362c | Sebastian Schwalbe | 25 August 2020, 22:18:00 UTC | Update AUTHORS.md | 25 August 2020, 22:18:00 UTC |
| 8dab69d | Sebastian Schwalbe | 25 August 2020, 22:15:45 UTC | Update AUTHORS.md | 25 August 2020, 22:15:45 UTC |
| df6f4b7 | Sebastian Schwalbe | 25 August 2020, 22:09:59 UTC | Update AUTHORS.md | 25 August 2020, 22:09:59 UTC |
| 7eb06af | Sebastian Schwalbe | 25 August 2020, 22:05:59 UTC | Update AUTHORS.md | 25 August 2020, 22:05:59 UTC |
| 9225cc8 | Sebastian Schwalbe | 25 August 2020, 22:05:33 UTC | Update AUTHORS.md | 25 August 2020, 22:05:33 UTC |
| 813cc35 | kaitrepte | 25 August 2020, 22:03:44 UTC | KT: Adjusted order of authors | 25 August 2020, 22:03:44 UTC |
| bcbce5f | kaitrepte | 25 August 2020, 21:59:44 UTC | KT: changed INSTALL | 25 August 2020, 21:59:44 UTC |
| 8fcde0a | Jakob Kraus | 25 August 2020, 21:56:19 UTC | Update README.md | 25 August 2020, 21:56:19 UTC |
| b42d1c6 | Sebastian Schwalbe | 25 August 2020, 21:55:45 UTC | Update INSTALL.md | 25 August 2020, 21:55:45 UTC |
| f9566a8 | Jakob Kraus | 25 August 2020, 21:55:06 UTC | Update README.md | 25 August 2020, 21:55:06 UTC |
| beb9e46 | Sebastian Schwalbe | 25 August 2020, 21:54:44 UTC | Update INSTALL.md | 25 August 2020, 21:54:44 UTC |
| 6ad125d | Jakob Kraus | 25 August 2020, 21:54:20 UTC | Update README.md | 25 August 2020, 21:54:20 UTC |
| 2e6ad94 | kaitrepte | 25 August 2020, 21:52:47 UTC | KT: Changes INSTALL | 25 August 2020, 21:52:47 UTC |
| 8eb220d | kaitrepte | 25 August 2020, 21:51:38 UTC | KT: adjusted Authors | 25 August 2020, 21:51:38 UTC |
| f86ee98 | kaitrepte | 25 August 2020, 21:49:39 UTC | Merge branch 'update_master' of https://github.com/pyflosic/pyflosic into update_master | 25 August 2020, 21:49:39 UTC |
| 57afdd9 | kaitrepte | 25 August 2020, 21:49:19 UTC | KT: Added new installation info | 25 August 2020, 21:49:19 UTC |
| fc08809 | Jakob Kraus | 25 August 2020, 21:49:03 UTC | Update README.md | 25 August 2020, 21:49:03 UTC |
| 9b5498b | Jakob Kraus | 25 August 2020, 21:47:37 UTC | Update README.md | 25 August 2020, 21:47:37 UTC |
| 981b3ab | Jakob Kraus | 25 August 2020, 21:47:13 UTC | Update README.md | 25 August 2020, 21:47:13 UTC |
| 45a21d2 | Jakob Kraus | 25 August 2020, 21:39:11 UTC | Update README.md | 25 August 2020, 21:39:11 UTC |
| d14a4ba | Jakob Kraus | 25 August 2020, 21:37:53 UTC | Delete FB_GUESS_COM.xyz | 25 August 2020, 21:37:53 UTC |
| 88919bc | kaitrepte | 25 August 2020, 21:37:28 UTC | KT: Added new email address | 25 August 2020, 21:37:28 UTC |
| 92369bb | Jakob Kraus | 25 August 2020, 21:36:15 UTC | Delete INSTALL_OLD | 25 August 2020, 21:36:15 UTC |
| 322ec54 | Jakob Kraus | 25 August 2020, 21:35:54 UTC | Update README.md | 25 August 2020, 21:35:54 UTC |
| 5b9526d | Jakob Kraus | 25 August 2020, 21:33:42 UTC | update | 25 August 2020, 21:33:42 UTC |
| 2908a81 | theonov13 | 25 August 2020, 21:08:04 UTC | add more packages and doc in init*sh | 25 August 2020, 21:08:04 UTC |
| 036b9bb | theonov13 | 25 August 2020, 20:47:51 UTC | adjust init*sh | 25 August 2020, 20:47:51 UTC |
| f24483a | theonov13 | 25 August 2020, 20:43:38 UTC | adjust dump_flag() in flosic_scf.py to work with newer pyscf versions | 25 August 2020, 20:43:38 UTC |
| 32a7de3 | Jakob Kraus | 25 August 2020, 20:19:12 UTC | Update INSTALL.md | 25 August 2020, 20:19:12 UTC |
| f0b004f | Sebastian Schwalbe | 25 August 2020, 19:51:12 UTC | add ham_sic='HOO' in advanced_applications (04-07), add more run.sh | 25 August 2020, 19:51:12 UTC |
| 7e310d7 | Jakob Kraus | 25 August 2020, 19:40:34 UTC | Update preopt.py | 25 August 2020, 19:40:34 UTC |
| d3e68c9 | Jakob Kraus | 25 August 2020, 19:38:28 UTC | git push | 25 August 2020, 19:38:28 UTC |
| 3665f29 | theonov13 | 25 August 2020, 19:15:09 UTC | add more run.sh files | 25 August 2020, 19:15:09 UTC |
| 9a33363 | Jakob Kraus | 25 August 2020, 18:22:50 UTC | Update INSTALL.md | 25 August 2020, 18:22:50 UTC |
| 0e2f19e | theonov13 | 25 August 2020, 18:09:21 UTC | clean venv folder, add script to make it | 25 August 2020, 18:09:21 UTC |
| a51e6fe | theonov13 | 25 August 2020, 18:00:06 UTC | do not push venv | 25 August 2020, 18:00:06 UTC |
| 1ea6e07 | theonov13 | 25 August 2020, 17:59:33 UTC | do not push venv | 25 August 2020, 17:59:33 UTC |
| 1f95969 | theonov13 | 25 August 2020, 17:51:32 UTC | try to re-include run.sh and find better package versions | 25 August 2020, 17:51:32 UTC |
| 82dbb0d | Jakob Kraus | 03 August 2020, 17:29:07 UTC | Merge branch 'master' of https://github.com/pyflosic/pyflosic | 03 August 2020, 17:29:07 UTC |
| 783e107 | Jakob Kraus | 03 August 2020, 17:28:44 UTC | update | 03 August 2020, 17:28:44 UTC |
| 455cc41 | Jakob Kraus | 16 July 2020, 13:16:39 UTC | Update README.md | 16 July 2020, 13:16:39 UTC |
| 3ab811d | Jakob Kraus | 16 July 2020, 12:49:51 UTC | Update README.md | 16 July 2020, 12:49:51 UTC |
| addf2d0 | Jakob Kraus | 16 July 2020, 12:48:51 UTC | Update README.md | 16 July 2020, 12:48:51 UTC |
| c2306f4 | Sebastian Schwalbe | 16 July 2020, 12:47:04 UTC | Update README.md | 16 July 2020, 12:47:04 UTC |
| 4925900 | Jakob Kraus | 16 July 2020, 12:45:51 UTC | Update README.md | 16 July 2020, 12:45:51 UTC |
| 1787054 | Jakob Kraus | 16 July 2020, 12:44:24 UTC | Update README.md | 16 July 2020, 12:44:24 UTC |
| 6c76b6a | Jakob Kraus | 16 July 2020, 12:44:03 UTC | Update README.md | 16 July 2020, 12:44:03 UTC |
| 34b7f5f | Jakob Kraus | 16 July 2020, 12:43:45 UTC | Update README.md | 16 July 2020, 12:43:45 UTC |
| 28796cb | Jakob Kraus | 16 July 2020, 12:42:05 UTC | Update README.md | 16 July 2020, 12:42:05 UTC |
| 81e93c7 | Jakob Kraus | 07 July 2020, 14:20:19 UTC | update | 07 July 2020, 14:20:19 UTC |
| 40d60fd | Jakob Kraus | 01 July 2020, 10:09:43 UTC | added unc dfo basis sets | 01 July 2020, 10:09:43 UTC |
| 30dfb56 | Jakob Kraus | 30 June 2020, 09:59:21 UTC | update | 30 June 2020, 09:59:21 UTC |
| e74396b | Jakob Kraus | 30 June 2020, 09:50:54 UTC | update | 30 June 2020, 09:50:54 UTC |
| 95f21be | Jakob Kraus | 30 June 2020, 09:48:29 UTC | update | 30 June 2020, 09:48:29 UTC |
| b5b7fa5 | Jakob Kraus | 29 June 2020, 19:58:51 UTC | update | 29 June 2020, 19:58:51 UTC |
| 024f78f | Jakob Kraus | 29 June 2020, 18:31:26 UTC | update | 29 June 2020, 18:31:26 UTC |
| b51942f | Jakob Kraus | 29 June 2020, 17:46:19 UTC | update | 29 June 2020, 17:46:19 UTC |
| 3f97321 | Jakob Kraus | 29 June 2020, 17:29:03 UTC | update | 29 June 2020, 17:29:03 UTC |
| 321b0f3 | Jakob Kraus | 29 June 2020, 17:25:40 UTC | Update README.md | 29 June 2020, 17:25:40 UTC |
| c5f9ef1 | Jakob Kraus | 29 June 2020, 12:01:34 UTC | update | 29 June 2020, 12:01:34 UTC |
| 35a6c5d | Jakob Kraus | 29 June 2020, 11:51:58 UTC | update | 29 June 2020, 11:51:58 UTC |
| a0e70cf | Jakob Kraus | 29 June 2020, 11:49:58 UTC | update | 29 June 2020, 11:49:58 UTC |
| 6e95841 | Jakob Kraus | 29 June 2020, 11:36:35 UTC | stability analysis update | 29 June 2020, 11:36:35 UTC |
| ecf4851 | Jakob Kraus | 23 June 2020, 07:47:35 UTC | added keywords n_rad, n_ang, prune | 23 June 2020, 07:47:35 UTC |
| 3a83ec1 | Jakob Kraus | 23 June 2020, 07:42:19 UTC | added keywords n_rad, n_ang, prune | 23 June 2020, 07:42:19 UTC |
| 0e7986c | Jakob Kraus | 18 June 2020, 12:51:32 UTC | update | 18 June 2020, 12:51:32 UTC |
| 9b7a587 | Jakob Kraus | 18 June 2020, 12:46:38 UTC | update | 18 June 2020, 12:46:38 UTC |
| 246b7a6 | Jakob Kraus | 16 June 2020, 13:03:50 UTC | updated dfo, added dfo+ | 16 June 2020, 13:03:50 UTC |
| 818eb61 | Jakob Kraus | 16 June 2020, 13:03:12 UTC | updated dfo basis set, added dfo+ | 16 June 2020, 13:03:12 UTC |
| 3e51951 | Jakob Kraus | 15 June 2020, 12:22:02 UTC | spelling checks | 15 June 2020, 12:22:02 UTC |
| 363f705 | Sebastian Schwalbe | 02 May 2020, 16:40:35 UTC | Update README.md | 02 May 2020, 16:40:35 UTC |
| c0e8927 | Sebastian Schwalbe | 02 May 2020, 16:35:31 UTC | Update README.md | 02 May 2020, 16:35:31 UTC |
| a8bf074 | Sebastian Schwalbe | 02 May 2020, 16:32:14 UTC | Update README.md | 02 May 2020, 16:32:14 UTC |
| f0f5512 | Lenz Fiedler | 02 May 2020, 16:04:14 UTC | Added a gitignore | 02 May 2020, 16:04:14 UTC |
| 69089c2 | Sebastian Schwalbe | 02 May 2020, 15:57:23 UTC | Update README.md | 02 May 2020, 15:57:23 UTC |
