bd637b2 | Janus Juul Eriksen | 10 April 2017, 12:26:42 UTC | bump version from 0.5 to 0.6 | 10 April 2017, 12:26:42 UTC |
33c8617 | Janus Juul Eriksen | 10 April 2017, 12:20:15 UTC | update output. | 10 April 2017, 12:20:15 UTC |
1799a68 | Janus Juul Eriksen | 10 April 2017, 11:59:17 UTC | fix bugs related to timings. | 10 April 2017, 11:59:17 UTC |
19878a7 | Janus Juul Eriksen | 10 April 2017, 10:30:25 UTC | change default prim_e_thres from 1.0e-04 to 1.0e-05 | 10 April 2017, 10:30:25 UTC |
e83928c | Janus Juul Eriksen | 10 April 2017, 10:29:44 UTC | change phase names and structure. | 10 April 2017, 10:29:44 UTC |
3f326f4 | Janus Juul Eriksen | 29 March 2017, 13:53:52 UTC | work on call to orb_generator | 29 March 2017, 13:53:52 UTC |
b69b043 | Janus Juul Eriksen | 29 March 2017, 13:45:18 UTC | more work in renaming phases. | 29 March 2017, 13:45:18 UTC |
710b409 | Janus Juul Eriksen | 29 March 2017, 13:43:06 UTC | started changing program structure in bg_driver.py | 29 March 2017, 13:43:06 UTC |
5cbf4df | Janus Juul Eriksen | 29 March 2017, 12:31:38 UTC | Merge branch 'restart_utils' | 29 March 2017, 12:31:38 UTC |
cfb45b9 | Janus Juul Eriksen | 29 March 2017, 12:30:47 UTC | bump program version from 0.4 to 0.5 | 29 March 2017, 12:30:47 UTC |
f8015f0 | Janus Juul Eriksen | 29 March 2017, 12:20:07 UTC | impl. improved error handling | 29 March 2017, 12:20:07 UTC |
e1a8628 | Janus Juul Eriksen | 29 March 2017, 11:05:35 UTC | work on improved error handling... | 29 March 2017, 11:05:35 UTC |
9217e0f | Janus Juul Eriksen | 29 March 2017, 11:05:15 UTC | fix output bug for FC | 29 March 2017, 11:05:15 UTC |
229e944 | Janus Juul Eriksen | 29 March 2017, 07:01:18 UTC | print status for START | 29 March 2017, 07:01:18 UTC |
1c62cae | Janus Juul Eriksen | 28 March 2017, 12:59:54 UTC | set DejaVu Sans as default font | 28 March 2017, 12:59:54 UTC |
f3b9984 | Janus Juul Eriksen | 28 March 2017, 12:01:20 UTC | only print status for every 1000th iteration + 0.0 and 100.0 % | 28 March 2017, 12:01:20 UTC |
a142c08 | Janus Juul Eriksen | 28 March 2017, 12:00:29 UTC | fixes for occ exp. + clean-up | 28 March 2017, 12:00:29 UTC |
670e51e | Janus Juul Eriksen | 28 March 2017, 10:45:47 UTC | make prog input case-insensitive | 28 March 2017, 10:45:47 UTC |
f1065a0 | Janus Juul Eriksen | 28 March 2017, 10:43:28 UTC | changed output in bg_results.out completely | 28 March 2017, 10:43:28 UTC |
748d033 | Janus Juul Eriksen | 27 March 2017, 09:22:37 UTC | pipe output to bg_output.out | 27 March 2017, 09:22:37 UTC |
1ced801 | Janus Juul Eriksen | 27 March 2017, 08:24:07 UTC | only pipe important info to new bg_output.out file | 27 March 2017, 08:24:07 UTC |
d88481d | Janus Juul Eriksen | 27 March 2017, 08:23:55 UTC | bugfixes to mpi timings | 27 March 2017, 08:23:55 UTC |
2a77e7c | Janus Juul Eriksen | 24 March 2017, 22:38:58 UTC | Update README.md | 24 March 2017, 22:38:58 UTC |
66b9e8a | Janus Juul Eriksen | 24 March 2017, 22:10:22 UTC | everything appears to be working... | 24 March 2017, 22:10:22 UTC |
1933e10 | Janus Juul Eriksen | 24 March 2017, 13:29:53 UTC | mpi calc runs through - now test restart option | 24 March 2017, 13:29:53 UTC |
0f5372f | Janus Juul Eriksen | 24 March 2017, 12:06:04 UTC | restart for 1 node appears to be working... | 24 March 2017, 12:06:04 UTC |
3078981 | Janus Juul Eriksen | 24 March 2017, 10:21:39 UTC | Merge branch 'master' into restart_utils | 24 March 2017, 10:21:39 UTC |
70311b4 | Janus Juul Eriksen | 24 March 2017, 10:21:10 UTC | Merge branch 'impr_get_dim' | 24 March 2017, 10:21:10 UTC |
5871e39 | Janus Juul Eriksen | 24 March 2017, 10:00:17 UTC | changed determination of nocc | 24 March 2017, 10:00:17 UTC |
d57f472 | Janus Juul Eriksen | 24 March 2017, 08:07:35 UTC | started debugging - tmp commit | 24 March 2017, 08:07:35 UTC |
5dcc1c6 | Janus Juul Eriksen | 23 March 2017, 15:05:28 UTC | more work, impl. mpi, removed rst_keep keyword | 23 March 2017, 15:05:28 UTC |
c1ea9ae | Janus Juul Eriksen | 23 March 2017, 13:55:49 UTC | started adding bg_mpi_rst.py | 23 March 2017, 13:55:49 UTC |
adbf16d | Janus Juul Eriksen | 23 March 2017, 13:50:43 UTC | impl. rst_freq keyword | 23 March 2017, 13:50:43 UTC |
b24f04a | Janus Juul Eriksen | 23 March 2017, 13:47:29 UTC | init job index for energy_kernel | 23 March 2017, 13:47:29 UTC |
6e13bc6 | Janus Juul Eriksen | 23 March 2017, 13:25:51 UTC | more work on restart - started on kernel | 23 March 2017, 13:25:51 UTC |
8accde6 | Janus Juul Eriksen | 23 March 2017, 12:20:07 UTC | work on restart timings | 23 March 2017, 12:20:07 UTC |
e3e7fd4 | Janus Juul Eriksen | 23 March 2017, 09:49:06 UTC | remove slave_main timings | 23 March 2017, 09:49:06 UTC |
ab1d081 | Janus Juul Eriksen | 22 March 2017, 18:59:55 UTC | Merge branch 'master' into restart_utils | 22 March 2017, 18:59:55 UTC |
199b595 | Janus Juul Eriksen | 22 March 2017, 18:55:12 UTC | Merge branch 'natural_orbs' | 22 March 2017, 18:55:12 UTC |
292defc | Janus Juul Eriksen | 22 March 2017, 18:54:08 UTC | impl. option to use mp2 nat. orbs. - default is OFF | 22 March 2017, 18:54:08 UTC |
627e7dc | Janus Juul Eriksen | 22 March 2017, 12:58:24 UTC | ongoing work on restart options. | 22 March 2017, 12:58:24 UTC |
4babe0a | Janus Juul Eriksen | 21 March 2017, 08:18:01 UTC | tmp commit | 21 March 2017, 08:18:01 UTC |
26a2515 | Janus Juul Eriksen | 21 March 2017, 08:17:33 UTC | Merge branch 'master' into restart_utils | 21 March 2017, 08:17:33 UTC |
1fd493e | Janus Juul Eriksen | 21 March 2017, 08:15:34 UTC | Merge branch 'norm_dist_screen' | 21 March 2017, 08:15:34 UTC |
bc9093a | Janus Juul Eriksen | 21 March 2017, 08:14:48 UTC | impl. prim_e_thres | 21 March 2017, 08:14:48 UTC |
d3f9d87 | Janus Juul Eriksen | 20 March 2017, 21:06:29 UTC | fix stupid xticklabels in n_tuples_plot | 20 March 2017, 21:06:29 UTC |
c5d149d | Janus Juul Eriksen | 20 March 2017, 15:31:04 UTC | impl. orb_ent_plot for orders begin and end | 20 March 2017, 15:31:04 UTC |
9b6c14d | Janus Juul Eriksen | 20 March 2017, 12:29:06 UTC | 8th attempt - doubling of thres at each order | 20 March 2017, 12:29:06 UTC |
c25ba60 | Janus Juul Eriksen | 20 March 2017, 08:55:08 UTC | 7th attempt - screen based on two succeeding orders. | 20 March 2017, 08:55:08 UTC |
8a927f7 | Janus Juul Eriksen | 20 March 2017, 08:10:29 UTC | change y-label in time_plot | 20 March 2017, 08:10:29 UTC |
7257177 | Janus Juul Eriksen | 20 March 2017, 08:04:25 UTC | change color scheme for theo in n_tuples_plot. | 20 March 2017, 08:04:25 UTC |
b1ba178 | Janus Juul Eriksen | 17 March 2017, 23:19:45 UTC | cut off plots in orb_con_order_plot | 17 March 2017, 23:19:45 UTC |
9cf2006 | Janus Juul Eriksen | 17 March 2017, 23:06:16 UTC | bug-to-the-fix | 17 March 2017, 23:06:16 UTC |
b290e9d | Janus Juul Eriksen | 17 March 2017, 22:42:34 UTC | bugfixes, sigh... | 17 March 2017, 22:42:34 UTC |
904bc43 | Janus Juul Eriksen | 17 March 2017, 22:03:30 UTC | Merge branch 'norm_dist_screen' of gitlab.com:januseriksen/bg-corr into norm_dist_screen | 17 March 2017, 22:03:30 UTC |
3dba828 | Janus Juul Eriksen | 17 March 2017, 22:03:05 UTC | Merge branch 'norm_dist_screen' of gitlab.com:januseriksen/bg-corr into norm_dist_screen | 17 March 2017, 22:03:05 UTC |
82c9243 | Janus Juul Eriksen | 17 March 2017, 22:01:57 UTC | fix (unlikely) bug for k == end and conv | 17 March 2017, 22:01:57 UTC |
389845d | Janus Juul Eriksen | 17 March 2017, 21:59:36 UTC | only call print_orb_info for debug runs. | 17 March 2017, 21:59:36 UTC |
85096c8 | Janus Juul Eriksen | 17 March 2017, 21:56:32 UTC | change suptitle in orb_ent_plot | 17 March 2017, 21:56:32 UTC |
23c113a | Janus Juul Eriksen | 17 March 2017, 21:38:40 UTC | Merge branch 'master' into norm_dist_screen | 17 March 2017, 21:38:40 UTC |
67f38b8 | Janus Juul Eriksen | 17 March 2017, 21:38:00 UTC | Merge branch 'norm_dist_screen' | 17 March 2017, 21:38:00 UTC |
ae7ee0d | Janus Juul Eriksen | 17 March 2017, 21:37:13 UTC | Merge branch 'mpi_improvements' | 17 March 2017, 21:37:13 UTC |
fd5dc86 | Janus Juul Eriksen | 17 March 2017, 21:22:56 UTC | impl. new orb_con_order_plot function | 17 March 2017, 21:22:56 UTC |
f8b8d46 | Janus Juul Eriksen | 17 March 2017, 15:32:52 UTC | fix to previous commit + fc bugfix for occ exp | 17 March 2017, 15:32:52 UTC |
dca2017 | Janus Juul Eriksen | 17 March 2017, 12:31:46 UTC | impl. orb_ent_plot and orb_con_plot. | 17 March 2017, 12:31:46 UTC |
f25bea5 | Janus Juul Eriksen | 16 March 2017, 15:16:17 UTC | fix to last commit | 16 March 2017, 15:16:17 UTC |
c554cfe | Janus Juul Eriksen | 16 March 2017, 14:56:56 UTC | 6th attempt: adaptive threshold by thres_step | 16 March 2017, 14:56:56 UTC |
745a4b9 | Janus Juul Eriksen | 16 March 2017, 12:58:02 UTC | polish | 16 March 2017, 12:58:02 UTC |
016351c | Janus Juul Eriksen | 16 March 2017, 12:12:20 UTC | make inserts in dev_ref_plot | 16 March 2017, 12:12:20 UTC |
acf0bc5 | Janus Juul Eriksen | 16 March 2017, 09:37:43 UTC | 5th attempt | 16 March 2017, 09:37:43 UTC |
72ee10c | Janus Juul Eriksen | 16 March 2017, 08:46:31 UTC | remove unused dist_main array in bg_mpi_time.py | 16 March 2017, 08:46:31 UTC |
ea334f2 | Janus Juul Eriksen | 16 March 2017, 08:03:47 UTC | fix n_tuples_plot + fix bug related to user-input max_order | 16 March 2017, 08:03:47 UTC |
0289113 | Janus Juul Eriksen | 15 March 2017, 13:57:59 UTC | changed loc for legend in time_plot | 15 March 2017, 13:57:59 UTC |
e529d86 | Janus Juul Eriksen | 15 March 2017, 12:49:31 UTC | 4th attempt | 15 March 2017, 12:49:31 UTC |
01e6515 | Janus Juul Eriksen | 15 March 2017, 08:38:35 UTC | 3rd attempt | 15 March 2017, 08:38:35 UTC |
27cc807 | Janus Juul Eriksen | 14 March 2017, 15:55:15 UTC | minor changes to n_tuples plot | 14 March 2017, 15:55:15 UTC |
7f03df1 | Janus Juul Eriksen | 14 March 2017, 14:14:54 UTC | print_orb_info: only orb_contribs and always call this, not only for debug | 14 March 2017, 14:14:54 UTC |
c001e54 | Janus Juul Eriksen | 14 March 2017, 12:27:16 UTC | 2nd attempt at new screening | 14 March 2017, 12:27:16 UTC |
54f50b4 | Janus Juul Eriksen | 14 March 2017, 10:35:31 UTC | 1st attempt at new screening | 14 March 2017, 10:35:31 UTC |
0f94e3b | Janus Juul Eriksen | 13 March 2017, 09:17:20 UTC | relax requirement for screening from .and. to .or. in update_domains | 13 March 2017, 09:17:20 UTC |
c6016c0 | Janus Juul Eriksen | 13 March 2017, 09:17:08 UTC | fix stupid fc bug | 13 March 2017, 09:17:08 UTC |
94736e8 | Janus Juul Eriksen | 13 March 2017, 08:59:01 UTC | remove screening based on tot orb cont | 13 March 2017, 08:59:01 UTC |
7ba618b | Janus Juul Eriksen | 10 March 2017, 21:29:57 UTC | Merge branch 'mpi_improvements' of gitlab.com:januseriksen/bg-corr into mpi_improvements | 10 March 2017, 21:29:57 UTC |
ddcfc2e | Janus Juul Eriksen | 10 March 2017, 21:28:11 UTC | return to old handling of backend prog | 10 March 2017, 21:28:11 UTC |
7a5586a | Janus Juul Eriksen | 10 March 2017, 15:57:18 UTC | Merge branch 'mpi_improvements' of gitlab.com:januseriksen/bg-corr into mpi_improvements | 10 March 2017, 15:57:18 UTC |
07974a0 | Janus Juul Eriksen | 10 March 2017, 15:56:39 UTC | do not store executs in scr dir | 10 March 2017, 15:56:39 UTC |
a9c1356 | Janus Juul Eriksen | 10 March 2017, 15:44:32 UTC | Merge branch 'mpi_improvements' of gitlab.com:januseriksen/bg-corr into mpi_improvements | 10 March 2017, 15:44:32 UTC |
189c850 | Janus Juul Eriksen | 10 March 2017, 15:43:01 UTC | have backend prog local | 10 March 2017, 15:43:01 UTC |
6b5ee16 | Janus Juul Eriksen | 10 March 2017, 14:38:55 UTC | Merge branch 'mpi_improvements' | 10 March 2017, 14:38:55 UTC |
a3caba5 | Janus Juul Eriksen | 10 March 2017, 14:32:16 UTC | OUTPUT.OUT -> OUTPUT_rank.OUT | 10 March 2017, 14:32:16 UTC |
131dfa1 | Janus Juul Eriksen | 10 March 2017, 14:00:48 UTC | Merge branch 'mpi_improvements' | 10 March 2017, 14:00:48 UTC |
9d149f3 | Janus Juul Eriksen | 10 March 2017, 14:00:04 UTC | chnage stdout and stderr in subprocess.call | 10 March 2017, 14:00:04 UTC |
7316e19 | Janus Juul Eriksen | 10 March 2017, 13:23:01 UTC | tmp commit on restart utils | 10 March 2017, 13:23:01 UTC |
ad004ac | Janus Juul Eriksen | 09 March 2017, 13:33:35 UTC | Merge branch 'mpi_improvements' | 09 March 2017, 13:33:35 UTC |
d1f4cdf | Janus Juul Eriksen | 09 March 2017, 13:32:17 UTC | change scr -> scr_dir and wrk -> wrk_dir | 09 March 2017, 13:32:17 UTC |
cfafce3 | Janus Juul Eriksen | 09 March 2017, 13:05:01 UTC | bugfixes to previous commit in the case of no mpi | 09 March 2017, 13:05:01 UTC |
53688d5 | Janus Juul Eriksen | 09 March 2017, 12:43:52 UTC | remove phase timings - calc these from master timings | 09 March 2017, 12:43:52 UTC |
285225c | Janus Juul Eriksen | 09 March 2017, 09:23:06 UTC | Merge branch 'mpi_improvements' | 09 March 2017, 09:23:06 UTC |
b14d79a | Janus Juul Eriksen | 09 March 2017, 09:22:24 UTC | work on numpy-based coll comm | 09 March 2017, 09:22:24 UTC |
945a164 | Janus Juul Eriksen | 09 March 2017, 08:50:57 UTC | fix print-out of timings | 09 March 2017, 08:50:57 UTC |