5871e39 | Janus Juul Eriksen | 24 March 2017, 10:00:17 UTC | changed determination of nocc | 24 March 2017, 10:00:17 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 |
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 |
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 |
b379ad1 | Janus Juul Eriksen | 08 March 2017, 14:45:00 UTC | Merge branch 'mpi_improvements' | 08 March 2017, 14:45:00 UTC |
f3ada9b | Janus Juul Eriksen | 08 March 2017, 14:44:18 UTC | use conv. pickle-based coll comm in bcast_tuples | 08 March 2017, 14:44:18 UTC |
6ab394f | Janus Juul Eriksen | 08 March 2017, 09:47:16 UTC | Merge branch 'mpi_improvements' | 08 March 2017, 09:47:16 UTC |
64b9fe1 | Janus Juul Eriksen | 08 March 2017, 09:46:14 UTC | changed dtype for tuples from np.int (64) to explicit np.int32 | 08 March 2017, 09:46:14 UTC |
9212421 | Janus Juul Eriksen | 07 March 2017, 12:24:31 UTC | Merge branch 'mpi_improvements' | 07 March 2017, 12:24:31 UTC |
9a70587 | Janus Juul Eriksen | 07 March 2017, 12:22:37 UTC | finish up parallel work. | 07 March 2017, 12:22:37 UTC |
89eb789 | Janus Juul Eriksen | 07 March 2017, 12:12:36 UTC | finish up batching of coll comm | 07 March 2017, 12:12:36 UTC |
6a09c7e | Janus Juul Eriksen | 07 March 2017, 11:32:07 UTC | impl. new bcast_domains and bcast_tuples + fixed phase timings. | 07 March 2017, 11:32:07 UTC |
da8b8cd | Janus Juul Eriksen | 06 March 2017, 15:02:16 UTC | move allred_e_inc to separate function | 06 March 2017, 15:02:16 UTC |
0fae7ef | Janus Juul Eriksen | 06 March 2017, 14:47:01 UTC | reimpl. parallel orb-gen + fixed a number of bugs for occ exp. with fc | 06 March 2017, 14:47:01 UTC |
47208cd | Janus Juul Eriksen | 06 March 2017, 10:23:58 UTC | incl comments for batched coll. comm. in energy_summation_par | 06 March 2017, 10:23:58 UTC |
64583a8 | Janus Juul Eriksen | 06 March 2017, 10:08:20 UTC | pythonize syntax in energy_summation_par | 06 March 2017, 10:08:20 UTC |
0f962c9 | Janus Juul Eriksen | 06 March 2017, 09:39:30 UTC | Merge branch 'mpi_improvements' | 06 March 2017, 09:39:30 UTC |
d2f1c11 | Janus Juul Eriksen | 06 March 2017, 09:36:06 UTC | changed print-out of n_tup | 06 March 2017, 09:36:06 UTC |
f3b7270 | Janus Juul Eriksen | 06 March 2017, 09:00:29 UTC | changed print-out of timings in summary | 06 March 2017, 09:00:29 UTC |
51efc4e | Janus Juul Eriksen | 05 March 2017, 12:20:13 UTC | introduced mpi_max_elms variable | 05 March 2017, 12:20:13 UTC |
1d7e1f3 | Janus Juul Eriksen | 05 March 2017, 12:08:50 UTC | batching of Bcast in energy_summation_par | 05 March 2017, 12:08:50 UTC |
079916a | Janus Juul Eriksen | 03 March 2017, 23:48:04 UTC | Merge branch 'mpi_improvements' | 03 March 2017, 23:48:04 UTC |
5adc552 | Janus Juul Eriksen | 03 March 2017, 23:47:24 UTC | fix total timings in summary | 03 March 2017, 23:47:24 UTC |
12e9748 | Janus Juul Eriksen | 03 March 2017, 23:34:21 UTC | several random bugfixes in one commit... | 03 March 2017, 23:34:21 UTC |
106d9a5 | Janus Juul Eriksen | 03 March 2017, 22:22:46 UTC | incl. total results also in phase plot + moved legends | 03 March 2017, 22:22:46 UTC |
9896caf | Janus Juul Eriksen | 03 March 2017, 21:51:37 UTC | include total results for mpi_time_plot | 03 March 2017, 21:51:37 UTC |
2528da1 | Janus Juul Eriksen | 03 March 2017, 19:38:40 UTC | Merge branch 'mpi_improvements' | 03 March 2017, 19:38:40 UTC |
df0aa98 | Janus Juul Eriksen | 03 March 2017, 19:37:47 UTC | stupid bugfixes that should have been checked prior to previous commits. | 03 March 2017, 19:37:47 UTC |
bdce95f | Janus Juul Eriksen | 03 March 2017, 19:27:24 UTC | make the code more nice in orb_contrib routines | 03 March 2017, 19:27:24 UTC |
59ff0a9 | Janus Juul Eriksen | 03 March 2017, 19:09:40 UTC | Merge branch 'master' into mpi_improvements | 03 March 2017, 19:09:40 UTC |
1b4bce1 | Janus Juul Eriksen | 03 March 2017, 19:01:13 UTC | tmp bugifx for orb_ent in merge_finish | 03 March 2017, 19:01:13 UTC |
efeb1ad | Janus Juul Eriksen | 03 March 2017, 14:53:19 UTC | Merge branch 'mpi_improvements' | 03 March 2017, 14:53:19 UTC |
423e7f1 | Janus Juul Eriksen | 03 March 2017, 14:52:45 UTC | remove leftover print-out | 03 March 2017, 14:52:45 UTC |
07a4f39 | Janus Juul Eriksen | 03 March 2017, 14:51:11 UTC | reintroduce master/slave protocol for energy_kernel | 03 March 2017, 14:51:11 UTC |
eb5141e | Janus Juul Eriksen | 03 March 2017, 10:21:30 UTC | remove redundant n_tup lists. | 03 March 2017, 10:21:30 UTC |
709bb45 | Janus Juul Eriksen | 02 March 2017, 15:00:32 UTC | change summary_mpi_time back to incl. init timings | 02 March 2017, 15:00:32 UTC |
f62c645 | Janus Juul Eriksen | 02 March 2017, 14:28:11 UTC | work on orb_ent_par | 02 March 2017, 14:28:11 UTC |
20a5495 | Janus Juul Eriksen | 02 March 2017, 12:46:58 UTC | split orb_ent routine | 02 March 2017, 12:46:58 UTC |
fdc2b43 | Janus Juul Eriksen | 02 March 2017, 11:53:10 UTC | change loop ordering in orb_ent | 02 March 2017, 11:53:10 UTC |
105da51 | Janus Juul Eriksen | 01 March 2017, 14:44:54 UTC | Merge branch 'mpi_improvements' | 01 March 2017, 14:44:54 UTC |
acae08e | Janus Juul Eriksen | 01 March 2017, 14:41:49 UTC | attempt to fix bug for time_remain at max_corr_order | 01 March 2017, 14:41:49 UTC |
439972f | Janus Juul Eriksen | 01 March 2017, 14:26:52 UTC | finish set impl. needs testing... | 01 March 2017, 14:26:52 UTC |
04d81d1 | Janus Juul Eriksen | 01 March 2017, 13:13:31 UTC | even more work... | 01 March 2017, 13:13:31 UTC |
fafdc34 | Janus Juul Eriksen | 01 March 2017, 13:00:57 UTC | further work on orb_ent | 01 March 2017, 13:00:57 UTC |
628ba20 | Janus Juul Eriksen | 01 March 2017, 12:47:35 UTC | orb_ent and orb_arr as numpy arrays | 01 March 2017, 12:47:35 UTC |