https://gitlab.com/januseriksen/pymbe

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